SCHEMBL7769598

SCHEMBL7769598

CCOP(=O)(OCC)C(Cl)=Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7765151 0.83 ALDH1A1 (0.44) ALDH1A1HPGDPKMLMNAL3MBTL1
SCHEMBL7892835 0.80
SCHEMBL7166416 0.80
SCHEMBL7762268 0.76 ALDH1A1 (0.42) ALDH1A1HPGDPKMLMNAL3MBTL1
SCHEMBL29627103 0.75 ALDH1A1 (0.48) ALDH1A1HPGDPKMLMNAKMT2A
SCHEMBL7766986 0.75 ALDH1A1 (0.48) ALDH1A1HPGDPKMLMNAKMT2A
SCHEMBL7762272 0.74 ALDH1A1 (0.40) ALDH1A1HPGDPKMLMNAL3MBTL1
SCHEMBL7886188 0.73 NR1I2 (0.35) MEN1KMT2APOLBMAPTTDP1
SCHEMBL7163062 0.73 NR1I2 (0.35) MEN1KMT2APOLBMAPTTDP1
SCHEMBL24485536 0.73 ALDH1A1 (0.48) ALDH1A1PKMLMNAL3MBTL1GAA

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 2 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