SCHEMBL30147019

SCHEMBL30147019

N#Cc1c(Sc2cccc(C(=O)O)c2F)c2ccc(Cl)c(F)c2n1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.55
SLC22A12 Q96S37 1/20 0.35
PKM P14618 1/20 0.32
MAT2A P31153 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EIF4E P06730 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
SCHEMBL16739467 1.00 ENPP2 (0.55) ENPP2SLC22A12PKMMAT2AALDH1A1
SCHEMBL16739496 0.89 ENPP2 (0.67) ENPP2PKMEIF4E
SCHEMBL30146966 0.89 ENPP2 (0.67) ENPP2PKMEIF4E
SCHEMBL30146964 0.88 ENPP2 (0.66) ENPP2PKMEIF4E
SCHEMBL17508049 0.88 ENPP2 (0.66) ENPP2PKMEIF4E
SCHEMBL17508046 0.88 ENPP2 (0.66) ENPP2PKMEIF4E
SCHEMBL16739441 0.88 ENPP2 (0.56) ENPP2PKMEIF4E
SCHEMBL29869377 0.88 ENPP2 (0.56) ENPP2PKMEIF4E
SCHEMBL16739465 0.85 ENPP2 (0.65) ENPP2
SCHEMBL30147025 0.85 ENPP2 (0.65) ENPP2

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-110372671-B Autotaxin inhibitor compounds 赛博治疗有限责任公司 2023-02-21 CN disclosed