SCHEMBL8006677

SCHEMBL8006677

Nc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
KDM4E B2RXH2 4/20 0.66
POLB P06746 2/20 0.66
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
MAPK1 P28482 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
PKM P14618 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
GCK P35557 1/20 0.44
GCKR Q14397 1/20 0.44
MEN1 O00255 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
CASP3 P42574 1/20 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
SCHEMBL6173806 0.91 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176528 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL9727631 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176491 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8008037 0.82 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6175342 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8009067 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177938 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL9034255 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176543 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1

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 4 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
CN-1127507-A Substituted 2-fused phenylpyridines with herbicidal activity BASF AG (DE) 1996-07-24 CN 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