SCHEMBL8769691

SCHEMBL8769691

O=C(O)Nc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 13/20 0.84
▸ ALOX5 P09917 12/20 0.84
▸ NPC1 O15118 5/20 0.77
▸ RAB9A P51151 4/20 0.77
▸ SMN1; SMN2 Q16637 3/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ MAPT P10636 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ KDM4E B2RXH2 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ MAPK1 P28482 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ ALOX5AP P20292 1/20 0.57

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
SCHEMBL7543728 0.89 EPHX2 (0.78) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7544458 0.89 NPC1 (0.79) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7544973 0.88 NPC1 (0.77) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7543735 0.88 ALOX5 (0.76) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7551599 0.87 NPC1 (0.76) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7541569 0.87 NPC1 (0.76) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7542600 0.87 NPC1 (1.00) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7540872 0.87 NPC1 (0.79) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7541206 0.86 NPC1 (0.74) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7541535 0.85 ALDH1A1 (0.80) EPHX2ALOX5NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 — — EP disclosed
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