SCHEMBL28311684

SCHEMBL28311684

O=C(O)c1ccc2ccn(-c3ccsc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
PIM3 Q86V86 3/20 0.38
PIM1 P11309 2/20 0.37
CSNK2A1 P68400 2/20 0.37
PIM2 Q9P1W9 1/20 0.37
FGFR1 P11362 2/20 0.37
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
PRSS1 P07477 2/20 0.36
MCL1 Q07820 1/20 0.36
RXRA P19793 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
ROCK2 O75116 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL24950460 0.80 FGFR1 (0.55) SCN9APIM3PIM1FGFR1F2
SCHEMBL30201454 0.80 FGFR1 (0.55) SCN9APIM3PIM1FGFR1F2
SCHEMBL30201485 0.77 SCN9A (0.48) SCN9APIM3PIM1CSNK2A1PIM2
SCHEMBL30201463 0.77 SCN9A (0.60) SCN9AFGFR1F2F10PRSS1
SCHEMBL15687555 0.75 CYP2A6 (0.50) FGFR1KDM4EALDH1A1
SCHEMBL28311660 0.75 LCK (0.40) LCKFYNDAOFGFR1MCL1
SCHEMBL29280306 0.74 SRD5A2 (0.49) SCN9AFGFR1F2F10PRSS1
SCHEMBL29443120 0.72 FGFR1 (0.68) FGFR1RXRAALDH1A1HPGDHSD17B10
SCHEMBL2346413 0.72 BIRC5 (0.53) FGFR1ALDH1A1
SCHEMBL16056406 0.70 MCL1 (0.42) SCN9AFGFR1MCL1KDM4EALDH1A1

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-110003169-A GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient 株式会社LG化学 2019-07-12 CN disclosed