SCHEMBL7765151

SCHEMBL7765151

CCOP(=O)(OCC)C(Cl)=Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 2/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKM P14618 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7769600 0.89 ALDH1A1 (0.38) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL7766969 0.84 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EPOLB
SCHEMBL7769598 0.83 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6182286 0.80 ALDH1A1 (0.55) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6182290 0.80 ALDH1A1 (0.55) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6177066 0.78 MAPK1 (0.46) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6177069 0.78 MAPK1 (0.46) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6176807 0.77 ALDH1A1 (0.50) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6176814 0.77 ALDH1A1 (0.50) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL7762329 0.76 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E

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
EP-0880531-B1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AG (DE) 2001-06-20 EP disclosed
US-6100218-A WHERE THE PHENYL IS SUBSTITUTED IN THE 3-POSITION BY A PHOSPHONO (OR OXYGEN, SULFUR AND/OR NITROGEN VARIATION, THEREOF)ALKYL GROUP; BETTER TARGETED CONTROL OF UNDESIRABLEPLANTS; DESICCANTS/DEFOLIANTS; CROPS, E.G. COTTON BASF AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
EP-0880531-A1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-12-02 EP disclosed
WO-1997030059-A1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed