SCHEMBL7762286

SCHEMBL7762286

CCOP(=O)(COCc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl)OCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 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
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ATF1 P18846 1/20 0.37
NFKB1 P19838 1/20 0.37
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7762329 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176640 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8665917 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL7766984 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL7765151 0.73 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL24485258 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6175885 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177940 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL7766977 0.73 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL7762268 0.71 ALDH1A1 (0.42) 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 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