SCHEMBL8007429

SCHEMBL8007429

O=C(O)Cc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 2/20 0.44
FGFR4 P22455 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL6177707 0.83 SMN1; SMN2 (0.51) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6967259 0.82 FGFR4 (0.48) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8008019 0.81 MAPT (0.58) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6176987 0.81 FGFR4 (0.49) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8008037 0.80 SMN1; SMN2 (0.54) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6176381 0.77 ALDH1A1 (0.50) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL997299 0.76 CYP1A2 (0.63) CYP1A2MAPTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL6487344 0.76 CYP1A2 (0.63) CYP1A2MAPTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL9673037 0.75 MEN1 (0.45) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21061058 0.75 SMN1; SMN2 (0.55) CYP1A2MAPTSMN1; SMN2NPC1RAB9A

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-6165941-A Substituted 2-phenylpyridines BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0708769-A1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002590-A2 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed