SCHEMBL9834840

SCHEMBL9834840

Cc1cccc(-n2nc(C(=O)C(C#N)C(=O)NCc3ccccc3)c3c2-c2cc(Cl)ccc2SC3)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
DHODH Q02127 1/20 0.36
CARM1 Q86X55 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
SCHEMBL9834152 0.95 MAPT (0.44) MAPTTP53LMNAPOLBMEN1
SCHEMBL9833391 0.93 MAPT (0.46) MAPTTP53LMNAPOLBMEN1
SCHEMBL9831879 0.91 MAPT (0.42) MAPTTP53LMNAPOLBMEN1
SCHEMBL9831991 0.90 MAPT (0.52) MAPTTP53LMNA
SCHEMBL9834096 0.90 MAPT (0.49) MAPTTP53LMNACCNA2CDK2
SCHEMBL9831377 0.89 TP53 (0.45) MAPTTP53LMNAPOLBMEN1
SCHEMBL9832608 0.87 NPC1 (0.40) MAPTTP53LMNAPOLBMEN1
SCHEMBL9834242 0.85 MAPT (0.50) MAPTTP53LMNADHODH
SCHEMBL9833865 0.84 POLB (0.39) MAPTTP53LMNAPOLBMEN1
SCHEMBL9316737 0.84 TP53 (0.49) MAPTTP53LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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