SCHEMBL10147486

SCHEMBL10147486

C=S(=O)(c1ccc(F)cc1)C(C)(C)c1ncc(-c2cc(C(C)(C)C)nn2C)o1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
RAB9A P51151 2/20 0.31
CNR2 P34972 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 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
SCHEMBL351826 0.89 CNR2 (0.36) PTGS2PTGS1RAB9ACNR2NPSR1
SCHEMBL351741 0.79 CNR2 (0.47) RAB9ACNR2MAPTNPSR1KDM4E
SCHEMBL1252448 0.77 AR (0.32) PTGS2PTGS1RAB9AKDM4E
SCHEMBL10146112 0.77 PIK3CG (0.38) RAB9AMAPTKDM4E
SCHEMBL10147493 0.76 MAPK14 (0.33) CNR2
SCHEMBL353351 0.74 CNR2 (0.32) CNR2KDM4E
SCHEMBL13618555 0.73 KDM4E (0.36) KDM4E
SCHEMBL351008 0.71 CNR2 (0.39) PTGS2PTGS1RAB9ACNR2KDM4E
SCHEMBL351700 0.71 CNR2 (0.36) CNR2
SCHEMBL13618539 0.68 MEN1 (0.38) PTGS2CNR2MAPTNPSR1KDM4E

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-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed