SCHEMBL21077917

SCHEMBL21077917

O=C(C1CCOCC1)N1CC=C(I)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.48
GRM5 P41594 1/20 0.41
GPR183 P32249 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL21078128 0.91 NAMPT (0.50) NAMPTGRM5
SCHEMBL21078112 0.89 HPGD (0.42) NAMPTGRM5KDM4EALDH1A1LMNA
SCHEMBL21078144 0.86 KEAP1 (0.44) NAMPTGRM5MAPTALDH1A1HPGD
SCHEMBL21077918 0.86 ALDH1A1 (0.48) NAMPTALDH1A1
SCHEMBL21077905 0.84 ALDH1A1 (0.52) NAMPTALDH1A1HPGD
SCHEMBL17888258 0.82 NAMPT (0.51) NAMPTGRM5GPR183KCNH2MAPT
SCHEMBL17886596 0.79 MAPT (0.47) NAMPTGRM5MAPTCNR2
SCHEMBL31558700 0.79 NAMPT (0.47) NAMPTGRM5GPR183KCNH2MAPT
SCHEMBL21078110 0.78 JAK1 (0.37) NAMPTGRM5KDM4EALDH1A1HPGD
SCHEMBL21078107 0.76 AKR1C3 (0.50) MAPTALDH1A1LMNAHPGD

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