SCHEMBL6982024

SCHEMBL6982024

COc1ccc([C@@H](CO)SCc2cnc3ccccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
PDE10A Q9Y233 7/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
IGF1R P08069 1/20 0.38
EPHX1 P07099 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6403012 1.00 FAAH (0.44) FAAHTRPM8PDE10APDGFRBPDGFRA
SCHEMBL6399537 0.87 MEN1 (0.46) FAAHPDGFRBPDGFRAMEN1KMT2A
SCHEMBL6983641 0.87 MEN1 (0.46) FAAHPDGFRBPDGFRAMEN1KMT2A
SCHEMBL6400650 0.81 ADORA2A (0.35) PDGFRBPDGFRAMEN1KMT2ATSHR
SCHEMBL6400354 0.80 ABCB11 (0.34) PDGFRBPDGFRAMEN1KMT2ATSHR
SCHEMBL6405056 0.80 FAAH (0.44) FAAHTRPM8PDE10APDGFRBPDGFRA
SCHEMBL23138232 0.68 CYP1A2 (0.52) PDE10APDGFRBPDGFRARAB9AALDH1A1
SCHEMBL6405033 0.68 MASP2 (0.36) MEN1KMT2ANPC1ALDH1A1
SCHEMBL10673413 0.68 CYP1A2 (0.50) PDE10APDGFRBPDGFRARAB9AALDH1A1
SCHEMBL30542307 0.67 PDGFRB (0.60) PDGFRBPDGFRAIGF1RNPC1HTT

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
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed