SCHEMBL9316299

SCHEMBL9316299

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1COc1ccc(C(=O)O)cc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NR1H4 Q96RI1 4/20 0.37
TP53 P04637 2/20 0.36
PIK3CD O00329 2/20 0.34
PIK3R2 O00459 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3R5 Q8WYR1 2/20 0.34
PIK3R3 Q92569 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
TBXA2R P21731 4/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TBXAS1 P24557 2/20 0.34

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
SCHEMBL9834220 0.90 NR1H4 (0.40) MAPTPOLBNR1H4TP53PIK3CD
SCHEMBL9831070 0.90 NR1H4 (0.41) MAPTPOLBNR1H4CCNA2CDK2
SCHEMBL9834320 0.90 PIK3CD (0.39) MAPTPOLBTP53PIK3CDPIK3R2
SCHEMBL9833961 0.90 PIK3CD (0.40) MAPTPOLBNR1H4TP53PIK3CD
SCHEMBL9316748 0.90 MAPT (0.44) MAPTPOLBNR1H4TP53PIK3CD
SCHEMBL9522451 0.89 TP53 (0.49) MAPTPOLBTP53USP2
SCHEMBL9833627 0.89 PIK3CD (0.45) MAPTPOLBNR1H4TP53PIK3CD
SCHEMBL9524053 0.88 MAPT (0.38) MAPTPOLBTP53PIK3CDPIK3R2
SCHEMBL10568130 0.88 MAPT (0.35) MAPTPOLBNR1H4TP53PIK3CD
SCHEMBL9833919 0.88 PIK3CD (0.41) MAPTPOLBPIK3CDPIK3R2PIK3CA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP 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
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed