SCHEMBL8548969

SCHEMBL8548969

COc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
AR P10275 3/20 0.43
PKM P14618 1/20 0.42
PGR P06401 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRD4 O60885 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6177440 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL8546136 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL8545370 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6176491 0.81 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL8549990 0.78 NPC1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6177330 0.77 DYRK1A (0.46) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6176034 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6180406 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6176381 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6975261 0.77 MEN1 (0.60) ALDH1A1KDM4ESMN1; SMN2POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802903-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 1998-09-09 EP disclosed
US-5747422-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed
CN-1168135-A Substituted 2-phenylpyridines BASF AG (DE) 1997-12-17 CN disclosed
EP-0802903-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed
WO-1996021646-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed