SCHEMBL6177066

SCHEMBL6177066

COC(=O)/C(Cl)=C/c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 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
SCHEMBL6177069 1.00 MAPK1 (0.46) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6182290 0.81 ALDH1A1 (0.55) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6182286 0.81 ALDH1A1 (0.55) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL7766969 0.79 ALDH1A1 (0.45) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL30525114 0.78 ALDH1A1 (0.54) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6177462 0.78 ALDH1A1 (0.54) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL7765151 0.78 ALDH1A1 (0.44) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6177347 0.78 MAPK1 (0.52) MAPK1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL29712887 0.78 MAPK1 (0.52) MAPK1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6180440 0.76 MAPK1 (0.46) MAPK1ALDH1A1KDM4EMAPTSMN1; SMN2

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 3 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
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