SCHEMBL9832636

SCHEMBL9832636

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1COc1cc(Cl)c(Cl)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
RIPK1 Q13546 3/20 0.33
IDO1 P14902 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9832064 0.91 CCNA2 (0.35) LMNAALDH1A1CCNA2CDK2CCNA1
SCHEMBL9831070 0.91 NR1H4 (0.41) LMNAALDH1A1CCNA2CDK2CCNA1
SCHEMBL9316748 0.89 MAPT (0.44) ALDH1A1CCNA2CDK2CCNA1MAPT
SCHEMBL9834162 0.88 CCNA2 (0.40) LMNAALDH1A1CCNA2CDK2CCNA1
SCHEMBL9833961 0.87 PIK3CD (0.40) CCNA2CDK2CCNA1MAPTPOLB
SCHEMBL9316299 0.87 MAPT (0.39) CCNA2CDK2CCNA1MAPTPOLB
SCHEMBL9834320 0.87 PIK3CD (0.39) LMNAALDH1A1CCNA2CDK2CCNA1
SCHEMBL9834220 0.87 NR1H4 (0.40) CCNA2CDK2CCNA1MAPTPOLB
SCHEMBL9832537 0.87 LMNA (0.42) LMNAALDH1A1MAPTPOLBPIK3CD
SCHEMBL9833530 0.87 RIPK1 (0.41) LMNAALDH1A1CCNA2CDK2CCNA1

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