SCHEMBL8009067

SCHEMBL8009067

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 4/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL7997471 0.81 MAPT (0.50) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL6173806 0.81 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL8006677 0.81 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL6176528 0.77 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL9727631 0.75 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL6176491 0.74 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL9034255 0.73 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL356056 0.73 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4ERAB9AMAPK1
SCHEMBL6177219 0.72 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL8010576 0.72 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1

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