SCHEMBL6176491

SCHEMBL6176491

N#Cc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.57
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.45
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
PKM P14618 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GCK P35557 1/20 0.39
GCKR Q14397 1/20 0.39
MEN1 O00255 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
SCHEMBL8545370 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8006677 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6173806 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8548969 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176528 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176381 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL9727631 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177660 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8546136 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176380 0.76 ALDH1A1 (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708756-B1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AG (DE) 2005-06-01 EP disclosed
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
CN-1127504-A Substituted 2-phenylpyridines with herbicidal action BASF AG (DE) 1996-07-24 CN disclosed
EP-0708756-A1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002580-A2 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed