SCHEMBL9979724

SCHEMBL9979724

Cc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(/C=N\OC(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
NAMPT P43490 1/20 0.43
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9979550 0.89 ATM (0.55) ATMNAMPTRAB9ASMN1; SMN2GAA
SCHEMBL9979539 0.87 ATM (0.53) ATMNAMPTRAB9ASMN1; SMN2GAA
SCHEMBL9979697 0.87 LMNA (0.47) ATMGAAALDH1A1LMNAMAPT
SCHEMBL14578422 0.86 ATM (0.51) ATMNAMPTRAB9ASMN1; SMN2GAA
SCHEMBL14266437 0.81 ALDH1A1 (0.40) RAB9ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL1085423 0.81 ATM (0.68) ATMNAMPTRAB9ASMN1; SMN2GAA
SCHEMBL14578360 0.79 NTRK1 (0.40) RAB9ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL12393705 0.79 ATM (0.62) ATMNAMPTRAB9ASMN1; SMN2GAA
SCHEMBL646511 0.79 ATM (0.62) ATMNAMPTRAB9ASMN1; SMN2GAA
SCHEMBL2354921 0.78 ATM (0.61) ATMNAMPTRAB9ASMN1; SMN2GAA

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-1305292-B1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2012-06-20 EP disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed