SCHEMBL11201513

SCHEMBL11201513

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP1 P29466 3/20 0.42
FBP1 P09467 2/20 0.41
CREBBP Q92793 1/20 0.41
IDH1 O75874 1/20 0.40

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
SCHEMBL10846802 0.84 GCK (0.46) GCKNPC1KDM4EALDH1A1CASP1
SCHEMBL9680968 0.83 KDM4E (0.43) GCKMEN1NPC1KMT2AKDM4E
SCHEMBL10848909 0.82 GAA (0.52) GCKCASP1
SCHEMBL9365456 0.80 NPC1 (0.43) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL11002896 0.78 MAPT (0.47) NPC1KDM4EALDH1A1CASP1
SCHEMBL10999376 0.77 MAPT (0.44) GCKNPC1KDM4EALDH1A1CASP1
SCHEMBL27500934 0.76 RXFP1 (0.45) MEN1NPC1KMT2AKDM4EALDH1A1
SCHEMBL10388680 0.75 THRB (0.52)
SCHEMBL10994300 0.75 ALDH1A1 (0.41) GCKMEN1KMT2AALDH1A1CASP1
SCHEMBL10994307 0.75 ALDH1A1 (0.41) GCKMEN1KMT2AALDH1A1CASP1

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
JP-58124707-A None JP disclosed
JP-S58124707-A HERBICIDE NIPPON TOKUSHU NOYAKU SEIZO KK 1983-07-25 JP disclosed