SCHEMBL9832768

SCHEMBL9832768

N#CCC(=O)c1nn(-c2cccc(Cl)c2)c2c1COc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
PIK3CD O00329 2/20 0.44
PIK3R2 O00459 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
PIK3R5 Q8WYR1 2/20 0.44
PIK3R3 Q92569 2/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NR1H4 Q96RI1 3/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 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
SCHEMBL9833649 0.90 PTGS1 (0.46) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL9833914 0.90 PTGS1 (0.44) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL9834213 0.88 NR1H4 (0.47) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL9833834 0.87 PTGS1 (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833824 0.86 SMN1; SMN2 (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834058 0.84 PTGS1 (0.43) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL9832311 0.84 PTGS1 (0.46) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL9832563 0.83 CCNA2 (0.37) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL9834202 0.82 PIK3CD (0.45) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL9833432 0.80 MAPT (0.44) CCNA2CDK2CCNA1PIK3CDPIK3R2

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 2 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