SCHEMBL10465749

SCHEMBL10465749

O=COc1ccc(N[C]=S)cc1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TGM2 P21980 1/20 0.30

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
SCHEMBL10466115 0.82
SCHEMBL172489 0.76 MAPT (0.48) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL11413359 0.75
SCHEMBL6454577 0.75 ALDH1A1 (0.38) KDM4ESMN1; SMN2
SCHEMBL1269615 0.74 GAA (0.58) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL10465750 0.73 ALDH1A1 (0.32) NPC1RAB9AGAA
SCHEMBL18683261 0.72 ALDH1A1 (0.41) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL7295754 0.72 ALDH1A1 (0.50) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL12881975 0.72 APP (0.40) GAAMAPTTHRBRECQL
SCHEMBL69853 0.72 CA2 (0.40) NPC1RAB9AKDM4EGAAMAPT

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
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed