SCHEMBL6177440

SCHEMBL6177440

COc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 4/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
DYRK1A Q13627 1/20 0.46
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44

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
SCHEMBL6177330 0.92 DYRK1A (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6175108 0.86 DYRK1A (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177633 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8548969 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6975261 0.83 MEN1 (0.60) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8021431 0.82 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
Piperidine SCHEMBL27434627 0.82 ACVR1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6179883 0.82 LMNA (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177219 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176034 0.81 ALDH1A1 (0.48) 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