SCHEMBL31533239

SCHEMBL31533239

COc1cnc(Cl)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
ALDH1A1 P00352 7/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
NFE2L2 Q16236 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
MPI P34949 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKT1 P31749 2/20 0.36
CDC7 O00311 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
SCHEMBL29954031 1.00 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL2851692 0.80 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL19330147 0.79 ERN1 (0.46) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29935843 0.79 ERN1 (0.46) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL30447805 0.78 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL16811712 0.78 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL38663611 0.78 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL13629353 0.75 ERN1 (0.42) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL2851214 0.75 ALDH1A1 (0.47) ERN1ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL29954957 0.75 ALDH1A1 (0.47) ERN1ALDH1A1CYP1A2CYP2C19CYP3A4

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
CN-113423708-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-04-22 CN disclosed