SCHEMBL2355899

SCHEMBL2355899

O=S1(=O)CCC(C2CC2)c2cc(Br)c(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.35
KDM1B Q8NB78 4/20 0.35
KCNH2 Q12809 2/20 0.35
ABCC9 O60706 3/20 0.32
ABCC8 Q09428 3/20 0.32
KCNJ11 Q14654 3/20 0.32
KCNJ8 Q15842 3/20 0.32
ADRA1D P25100 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
SCHEMBL2355061 0.94 KDM1A (0.38) KDM1AKDM1BKCNH2ABCC9ABCC8
SCHEMBL2355163 0.87 ADRA1D (0.32) ADRA1D
SCHEMBL2354277 0.82 KDM1A (0.35) KDM1AKDM1BADRA1D
SCHEMBL2355724 0.79
SCHEMBL2354367 0.79 KDM1A (0.38) KDM1AKDM1BADRA1D
SCHEMBL2355164 0.75 CA1 (0.41) KDM1AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2357699 0.75 CA1 (0.35) KDM1AKDM1B
SCHEMBL2355589 0.75 ADRA1D (0.40) ABCC8KCNJ11ADRA1D
SCHEMBL2350862 0.73 CTSL (0.36) KDM1AKDM1B
SCHEMBL2356693 0.72 ADRA1D (0.30) 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 2 patents. 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 claimed
WO-2011083264-A1 THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-07-14 WO disclosed