SCHEMBL9832082

SCHEMBL9832082

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2cccc(Cl)c2)c2c1CSc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TP53 P04637 6/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
RIPK1 Q13546 1/20 0.36
F10 P00742 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9831199 0.97 MAPT (0.39) MAPTTP53CCNA2CDK2CCNA1
SCHEMBL9316263 0.96 RIPK1 (0.41) MAPTTP53CCNA2CDK2CCNA1
SCHEMBL9833062 0.94 TP53 (0.41) MAPTTP53CCNA2CDK2CCNA1
SCHEMBL9833865 0.94 POLB (0.39) MAPTTP53CCNA2CDK2CCNA1
SCHEMBL9833381 0.93 MAPT (0.40) MAPTTP53RAB9AL3MBTL1
SCHEMBL8111901 0.92 TP53 (0.42) MAPTTP53RAB9AL3MBTL1
SCHEMBL9832103 0.92 MAPT (0.43) MAPTTP53RAB9AL3MBTL1
SCHEMBL9833954 0.92 MAPT (0.43) MAPTTP53CCNA2CDK2CCNA1
SCHEMBL9832014 0.91 POLB (0.44) MAPTTP53CCNA2CDK2CCNA1
SCHEMBL9833424 0.91 TP53 (0.38) MAPTTP53PIK3CDPIK3R2PIK3CA

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