SCHEMBL7053950

SCHEMBL7053950

Cc1ccc(NC(=O)C(C#N)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
S1PR3 Q99500 2/20 0.53
HTR1E P28566 1/20 0.53
POLB P06746 2/20 0.53
AKR1C3 P42330 1/20 0.52
AKR1C1 Q04828 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CASR P41180 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
KLK7 P49862 1/20 0.44

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
SCHEMBL28762296 0.89 POLB (0.65) ALDH1A1S1PR3HTR1EPOLBAKR1C3
SCHEMBL7052543 0.85 KLK7 (0.56) ALDH1A1S1PR3POLBAKR1C3AKR1C1
SCHEMBL7051985 0.84 HSD17B10 (0.50) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL224464 0.82 NPC1 (0.57) ALDH1A1POLBAKR1C3AKR1C1MEN1
SCHEMBL7210943 0.79 NPC1 (0.54) ALDH1A1S1PR3HTR1EPOLBMEN1
SCHEMBL11812978 0.79 LMNA (0.47) ALDH1A1AKR1C3AKR1C1MEN1KMT2A
SCHEMBL7209904 0.79 ATM (0.51) ALDH1A1POLBAKR1C3AKR1C1MEN1
SCHEMBL7059942 0.79 CYP1A2 (0.51) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL7053734 0.78 ALDH1A1 (0.58) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL14599718 0.78 MAPT (0.72) ALDH1A1S1PR3HTR1EPOLBMEN1

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
US-6613931-B1 N-(3-chlorphenyl)-2-cyano-2-phenylacetamide BASF AKTIENGESELLSCHAFT (DE) 2003-09-02 US claimed
EP-1156715-B1 USE OF PHENYLACETAMIDES AS PLANT PROTECTIVES HAVING HERBICIDAL AND FUNGICIDAL EFFECT BASF AG (DE) 2003-05-07 EP claimed
US-6613931-B1 N-(3-chlorphenyl)-2-cyano-2-phenylacetamide BASF AKTIENGESELLSCHAFT (DE) 2003-09-02 US disclosed