SCHEMBL7929316

SCHEMBL7929316

Cc1csc(NC(=O)c2cc(-c3cccc(Cl)c3)c3nc(C)cn3c2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.62
GRM5 P41594 1/20 0.62
SCD O00767 2/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.47
ABL1 P00519 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL7928076 0.85 GCK (0.60) GCKGRM5SCDNPC1RAB9A
SCHEMBL7931544 0.84 CNR2 (0.50) GRM5NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7930354 0.82 SMN1; SMN2 (0.47) GRM5MAPTSMN1; SMN2MEN1LMNA
SCHEMBL7930732 0.81 CNR2 (0.53) GRM5NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7930350 0.80 POLB (0.51) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL7934025 0.80 NPC1 (0.49) GRM5NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3377871 0.79 MAPK14 (0.46) GRM5NPC1RAB9AMAPTKMT2A
SCHEMBL7922479 0.79 JAK2 (0.46) GRM5MEN1LMNAKMT2AABL1
SCHEMBL7929299 0.79 KCNQ3 (0.43) GRM5
SCHEMBL7930895 0.77 PSMD14 (0.43) GRM5SCDRAB9AKDM4EALDH1A1

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed