SCHEMBL9316562

SCHEMBL9316562

N#CC(C(=O)Nc1ccc(F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CSc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.46
MAPT P10636 3/20 0.46
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
IKBKB O14920 3/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9833737 0.97 TP53 (0.45) TP53MAPTPTGS1PTGS2IKBKB
SCHEMBL9316088 0.97 TP53 (0.44) TP53MAPTPTGS1PTGS2IKBKB
SCHEMBL9834265 0.93 TP53 (0.42) TP53MAPTPTGS1PTGS2IKBKB
SCHEMBL8111901 0.92 TP53 (0.42) TP53MAPTPTGS1PTGS2RAB9A
SCHEMBL9833062 0.91 TP53 (0.41) TP53MAPTIKBKBCCNA2CDK2
SCHEMBL9832113 0.91 TP53 (0.40) TP53MAPTPTGS1PTGS2RAB9A
SCHEMBL9831587 0.90 TP53 (0.40) TP53MAPTPTGS1PTGS2RAB9A
SCHEMBL9833687 0.90 TP53 (0.41) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9833784 0.90 PTGS1 (0.40) TP53MAPTPTGS1PTGS2RAB9A
SCHEMBL9833954 0.90 MAPT (0.43) TP53MAPTPTGS1PTGS2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434807-B1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS ERBA CARLO SPA (IT) 1994-06-08 EP claimed
EP-0423269-B1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES ERBA CARLO SPA (IT) 1994-01-12 EP claimed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP claimed
EP-0423269-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES. ERBA CARLO SPA (IT) 1991-04-24 EP claimed
WO-1991001309-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS FARMITALIA CARLO ERBA S.R.L. (IT) 1991-02-07 WO claimed
WO-1990011760-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-10-18 WO claimed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP claimed
US-5352676-A Morphalinomethyl-substituted 1-phenyl-indero-[1,2-c]pyrazol-3-yl derivatives of 2-cyano-3-oxo-propanamides useful in the treatment of rheumatoid arthritis FARMITALIA CARLO ERBA SRL (IT) 1994-10-04 US disclosed
EP-0434807-B1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS ERBA CARLO SPA (IT) 1994-06-08 EP disclosed
EP-0423269-B1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES ERBA CARLO SPA (IT) 1994-01-12 EP disclosed
US-5260328-A Phenyl-indenopurazol 3-oxo-propanamide derivatives useful in the treatment of rheumatoid arthritis FARMITALIA CARLO ERBA SRL (IT) 1993-11-09 US disclosed
US-5206258-A Treating autoimmune disorders FARMITALIA CARLO ERBA S.R.L. (IT) 1993-04-27 US disclosed
US-5196445-A HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES FARMITALIA CARLO ERBA SRL (IT) 1993-03-23 US disclosed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP disclosed
EP-0423269-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES. ERBA CARLO SPA (IT) 1991-04-24 EP disclosed
WO-1991001309-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS FARMITALIA CARLO ERBA S.R.L. (IT) 1991-02-07 WO disclosed
WO-1990011760-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-10-18 WO disclosed
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP disclosed