SCHEMBL299864

SCHEMBL299864

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(CC)c1NC(=O)c1ccc(-n2cncn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
SMYD3 Q9H7B4 1/20 0.41
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
NPC1 O15118 1/20 0.40
ROCK1 Q13464 1/20 0.40
GRM7 Q14831 3/20 0.40
ROCK2 O75116 1/20 0.39
ELOVL6 Q9H5J4 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1274965 0.95 RAB9A (0.47) RAB9ARXFP1ALDH1A1KDM4EGAA
SCHEMBL298937 0.90 RAB9A (0.45) RAB9ARXFP1ALDH1A1KDM4EGAA
SCHEMBL1274616 0.88 RAB9A (0.52) RAB9ARXFP1ALDH1A1KDM4EGAA
SCHEMBL298774 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGAACYP1A2CYP2C9
SCHEMBL1275432 0.85 CYP1A2 (0.52) RAB9ARXFP1ALDH1A1KDM4EGAA
SCHEMBL299819 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EGAACYP1A2CYP2C9
SCHEMBL13076340 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EGAACYP1A2CYP2C9
SCHEMBL17399561 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EGAACYP1A2CYP2C9
SCHEMBL299163 0.82 KMT2A (0.60) ALDH1A1MAPT
SCHEMBL1275752 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EGAACYP1A2CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427439-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES Syngenta Participations AG (CH) 2012-03-14 EP claimed