SCHEMBL13152602

SCHEMBL13152602

CCCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.43
SGK1 O00141 1/20 0.41
AR P10275 1/20 0.39
KIT P10721 3/20 0.38
PDE5A O76074 1/20 0.38
NPC1 O15118 1/20 0.37
HASPIN Q8TF76 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL13152144 0.95 DYRK1A (0.40) DYRK1ASGK1ARKITPDE5A
SCHEMBL13152575 0.93 DYRK1A (0.43) DYRK1ASGK1ARKITPDE5A
SCHEMBL13153271 0.92 GRIK2 (0.40) DYRK1ASGK1ARKITPDE5A
SCHEMBL13152731 0.91 ALOX15 (0.36) DYRK1ASGK1HASPINKDM4EALDH1A1
SCHEMBL13152585 0.91 DYRK1A (0.44) DYRK1ASGK1PDE5ANPC1HASPIN
SCHEMBL10095875 0.87 DYRK1A (0.41) DYRK1ASGK1ARKITPDE5A
SCHEMBL13152695 0.87 DYRK1A (0.42) DYRK1ASGK1KITPDE5AKDM4E
SCHEMBL13152583 0.87 DYRK1A (0.44) DYRK1APDE5ANPC1HASPINKDM4E
SCHEMBL13152062 0.85 DYRK1A (0.43) DYRK1ASGK1ARPDE5AKDM4E
SCHEMBL13152633 0.84 DYRK1A (0.42) DYRK1APDE5ANPC1HASPINKDM4E

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed