SCHEMBL7059942

SCHEMBL7059942

Cc1ccccc1NC(=O)C(C#N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 2/20 0.50
PGR P06401 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 4/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGAV P06756 2/20 0.48

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
SCHEMBL7209904 0.85 ATM (0.51) CYP3A4CYP2C19HTTLMNAGAA
SCHEMBL7054064 0.82 ALDH1A1 (0.58) HTTRAB9ANPC1LMNAGAA
SCHEMBL14842465 0.79 RAB9A (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28762296 0.79 POLB (0.65) CYP1A2CYP2C19HTTRAB9ANPC1
SCHEMBL7053950 0.79 ALDH1A1 (0.58) HTTRAB9ANPC1LMNAMAPT
SCHEMBL6718687 0.76 RAB9A (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28609335 0.76 RAB9A (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6718773 0.76 RAB9A (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4819698 0.76 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28577403 0.76 HTT (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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