SCHEMBL7766969

SCHEMBL7766969

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GCK P35557 1/20 0.36
GCKR Q14397 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STAT3 P40763 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
SCHEMBL7765151 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL30525114 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177462 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL7769600 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177066 0.79 MAPK1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177069 0.79 MAPK1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176233 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176241 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL30525118 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6182286 0.75 ALDH1A1 (0.55) 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 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