SCHEMBL21078112

SCHEMBL21078112

O=C(C1CC1)N1CC=C(I)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
JAK1 P23458 2/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
KEAP1 Q14145 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NAMPT P43490 4/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.36
GRM5 P41594 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
SCHEMBL21077918 0.93 ALDH1A1 (0.48) KEAP1ALDH1A1NAMPTTSHR
SCHEMBL21078144 0.93 KEAP1 (0.44) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21077905 0.92 ALDH1A1 (0.52) HPGDKEAP1ALDH1A1NAMPTTSHR
SCHEMBL21077917 0.89 NAMPT (0.48) HPGDALDH1A1NAMPTKDM4ELMNA
SCHEMBL21078110 0.88 JAK1 (0.37) HPGDJAK1JAK2TYK2CHRNB2
SCHEMBL21078128 0.83 NAMPT (0.50) NAMPTGRM5
SCHEMBL21077851 0.82 JAK1 (0.35) JAK1JAK2ALDH1A1NAMPTTSHR
SCHEMBL21078140 0.80 GRM5 (0.43) JAK1JAK2ALDH1A1NAMPTTSHR
SCHEMBL19909257 0.79 JAK1 (0.43) HPGDJAK1JAK2TYK2CHRNB2
SCHEMBL17342884 0.79 KEAP1 (0.43) HPGDJAK1JAK2TYK2CHRNB2

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