SCHEMBL9754368

SCHEMBL9754368

COc1ccnc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
F12 P00748 1/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PORCN Q9H237 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL1576702 0.84 MAPT (0.59) F2F12ALDH1A1GAAHTT
SCHEMBL15890202 0.83 NPC1 (0.54) F2F12ALDH1A1GAAHTT
SCHEMBL821809 0.81 F2 (0.52) F2F12ALDH1A1GAAHTT
SCHEMBL9661273 0.81 POLB (0.53) F2F12ALDH1A1GAAHTT
SCHEMBL896911 0.80 GAA (0.60) F2F12ALDH1A1GAAHTT
SCHEMBL8533974 0.80 HTT (0.53) ALDH1A1GAAHTTSMN1; SMN2MAPT
SCHEMBL22239666 0.79 F2 (0.43) F2F12ALDH1A1GAAMAPT
SCHEMBL9620601 0.78 ALDH1A1 (0.49) F2F12ALDH1A1GAAHTT
SCHEMBL15890248 0.78 POLB (0.56) ALDH1A1GAAHTTSMN1; SMN2KIT
SCHEMBL30925086 0.77 MAPT (0.49) F2F12ALDH1A1GAAHTT

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
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed