SCHEMBL7051985

SCHEMBL7051985

Cc1cccc(NC(=O)C(C#N)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
POLB P06746 2/20 0.47
EGFR P00533 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALOX12 P18054 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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 0.85 POLB (0.65) HSD17B10ALDH1A1TP53MEN1KMT2A
SCHEMBL7053950 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL7058595 0.83 NPC1 (0.55) HSD17B10ALDH1A1TP53MEN1KMT2A
SCHEMBL7052537 0.83 KDM4E (0.61) MEN1KMT2APOLBMMP1MMP2
SCHEMBL8835261 0.80 HSD17B10 (0.56) HSD17B10ALDH1A1TP53MEN1KMT2A
SCHEMBL7210943 0.79 NPC1 (0.54) ALDH1A1TP53MEN1KMT2APOLB
SCHEMBL5239922 0.79 MEN1 (0.50) ALDH1A1TP53MEN1KMT2APOLB
SCHEMBL6723310 0.78 HSD17B10 (0.54) HSD17B10ALDH1A1TP53MEN1KMT2A
SCHEMBL7209904 0.78 ATM (0.51) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL6715528 0.77 HSD17B10 (0.53) HSD17B10ALDH1A1TP53MEN1KMT2A

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