SCHEMBL21078140

SCHEMBL21078140

COC1CC(C(=O)N2CC=C(I)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
NAMPT P43490 2/20 0.37
GPR183 P32249 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 3/20 0.32
PIK3CA P42336 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
PIK3R1 P27986 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
TACR3 P29371 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL20004193 0.82 GRM5 (0.43) GRM5NAMPTGPR183JAK2JAK1
SCHEMBL21078112 0.80 HPGD (0.42) GRM5NAMPTJAK2JAK1ALDH1A1
SCHEMBL21077918 0.77 ALDH1A1 (0.48) NAMPTKMT2AALDH1A1TSHR
SCHEMBL21078144 0.77 KEAP1 (0.44) GRM5NAMPTKMT2AALDH1A1TSHR
SCHEMBL21077851 0.77 JAK1 (0.35) GRM5NAMPTJAK2JAK1ALDH1A1
SCHEMBL21078098 0.76 CHRNB2 (0.41) GRM5JAK2JAK1ALDH1A1GAA
SCHEMBL21077905 0.76 ALDH1A1 (0.52) NAMPTKMT2AALDH1A1TSHR
SCHEMBL21077917 0.74 NAMPT (0.48) GRM5NAMPTGPR183ALDH1A1KDM4E
SCHEMBL21078133 0.73 L3MBTL1 (0.38) GRM5NAMPTKMT2ACCNT1CDK9
SCHEMBL23210600 0.73 GPR183 (0.38) GRM5GPR183NPC1RAB9AKMT2A

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