SCHEMBL21077859

SCHEMBL21077859

O=C(CC1CC1)N1CC=C(I)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM4 P08173 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
MAPK1 P28482 1/20 0.34
GRM5 P41594 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL17888238 0.81 NAMPT (0.43) NAMPTMEN1KMT2ACYP1A2CHRM4
SCHEMBL17886557 0.78 NAMPT (0.41) NAMPTMEN1KMT2ACYP1A2CHRM4
SCHEMBL21077810 0.78 MEN1 (0.45) NAMPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL21077987 0.77 PRSS1 (0.38) GRM5JAK2JAK1PTGDR2
SCHEMBL21077998 0.75 NAMPT (0.45) NAMPTMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL21078112 0.75 HPGD (0.42) NAMPTKDM4EALDH1A1GRM5JAK2
SCHEMBL21077864 0.74 JAK1 (0.40) NAMPTMEN1KMT2AJAK2JAK1
SCHEMBL21077993 0.74 POLB (0.42) NAMPTMEN1KMT2AALDH1A1
SCHEMBL21077991 0.74 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1JAK2
SCHEMBL21077807 0.74 GRM1 (0.44) NAMPTMEN1KMT2ACYP1A2GRM5

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed