SCHEMBL9979550

SCHEMBL9979550

CO/N=C\c1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL9979539 0.90 ATM (0.53) ATMALDH1A1MAPTLMNAHTT
SCHEMBL9979724 0.89 ATM (0.52) ATMALDH1A1MAPTLMNAHTT
SCHEMBL14578422 0.88 ATM (0.51) ATMALDH1A1MAPTLMNAHTT
SCHEMBL9979555 0.88 ATM (0.39) ATMALDH1A1MAPTLMNAHTT
SCHEMBL23748525 0.86 ALDH1A1 (0.41) ATMALDH1A1MAPTLMNAHTT
SCHEMBL9979547 0.86 LMNA (0.47) ATMALDH1A1MAPTLMNAHTT
SCHEMBL9979548 0.86 ALDH1A1 (0.41) ATMALDH1A1MAPTLMNAHTT
SCHEMBL14578389 0.86 LMNA (0.47) ATMALDH1A1MAPTLMNAHTT
SCHEMBL9979704 0.86 ALDH1A1 (0.41) ATMALDH1A1MAPTLMNAHTT
SCHEMBL10213365 0.86 ATM (0.48) ATMALDH1A1MAPTLMNAHTT

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