SCHEMBL7762268

SCHEMBL7762268

CCOP(=O)(COc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
ATF1 P18846 1/20 0.38
NFKB1 P19838 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 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
SCHEMBL6175607 0.78 ALDH1A1 (0.46) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL7766966 0.78 ALDH1A1 (0.42) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL7762272 0.77 ALDH1A1 (0.40) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL7769598 0.76 ALDH1A1 (0.41) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL24485536 0.76 ALDH1A1 (0.48) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL6177382 0.76 ALDH1A1 (0.44) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL17962149 0.76 ALDH1A1 (0.42) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL17962146 0.75 MEN1 (0.47) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL19814724 0.74 KMT2A (0.46) ALDH1A1PKMLMNAKDM4ESMN1; SMN2
SCHEMBL28863423 0.73 MAPK1 (0.42) ALDH1A1PKMLMNAKDM4ESMN1; 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 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