SCHEMBL10693531

SCHEMBL10693531

CC(Oc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.39

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
SCHEMBL9820875 0.91 MAPK1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL10388787 0.91 MAPK1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL10386448 0.90 MAPK1 (0.51) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL11566682 0.88 KMT2A (0.42) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL10387640 0.88 MEN1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL11095826 0.86 MAPK1 (0.39) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL11264676 0.86 FPR2 (0.39) ALDH1A1SMN1; SMN2KDM4EMAPK1FPR2
SCHEMBL11102347 0.86 KMT2A (0.40) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL11371827 0.84 MAPK1 (0.43) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1
SCHEMBL11098548 0.84 KMT2A (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753673-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-28 US disclosed
US-4628099-A INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1986-12-09 US disclosed
US-4551170-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-11-05 US disclosed
US-4523017-A REACTING CHLORIDE SUBSTITUTED PYRIDINE COMPOUND WITH SUBSTITUTED PHENOL COMPOUND THE DOW CHEMICAL COMPANY (US) 1985-06-11 US disclosed
US-4491468-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanenitriles and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-01-01 US disclosed
US-4479001-A Trifluoromethyl pyridinylthiophenoxy propanoic acids and propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1984-10-23 US disclosed