SCHEMBL2353890

SCHEMBL2353890

O=S1(=O)CCC(C2CC2)c2cccc(F)c21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.37
ADRA1D P25100 2/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
NOTUM Q6P988 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
SCHEMBL2353872 0.83 CXCR2 (0.32) ADRA1D
SCHEMBL2354740 0.81 KDM1A (0.32) KDM1A
SCHEMBL2350667 0.81 HTR2A (0.34) HTR2CHTR2B
SCHEMBL2356693 0.77 ADRA1D (0.30) ADRA1D
SCHEMBL2350862 0.75 CTSL (0.36) KDM1AKDM1B
SCHEMBL2352981 0.74 ADRA1D (0.36) ADRA1DHTR2CHTR2B
SCHEMBL2357167 0.73 ADRA1D (0.37) SLC10A2ADRA1D
SCHEMBL2355589 0.71 ADRA1D (0.40) ADRA1D
SCHEMBL2355163 0.70 ADRA1D (0.32) ADRA1D
SCHEMBL24179985 0.68 ADRA1D (0.36) ADRA1D

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-2011083264-A1 THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-07-14 WO disclosed