SCHEMBL30382013

SCHEMBL30382013

CSc1cccc(B(O)O)c1SC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.31
IDO1 P14902 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3786200 1.00 ENPP2 (0.34) ENPP2HTTMEN1KMT2AMAPT
SCHEMBL29367623 0.79 ENPP2 (0.43) ENPP2HTTMEN1KMT2AMAPT
SCHEMBL24389 0.79 ENPP2 (0.43) ENPP2HTTMEN1KMT2AMAPT
SCHEMBL19077624 0.78 TRPA1 (0.38) ENPP2ALDH1A1
SCHEMBL18378891 0.78 ALDH1A1 (0.34) HTTMEN1KMT2AMAPTRAB9A
SCHEMBL21410502 0.77 MAPT (0.33) ENPP2MEN1KMT2AMAPTALDH1A1
SCHEMBL29671084 0.77 MAPT (0.33) ENPP2MEN1KMT2AMAPTALDH1A1
SCHEMBL28514364 0.77 ENPP2 (0.33) ENPP2ALDH1A1
SCHEMBL30581214 0.77 ENPP2 (0.33) ENPP2ALDH1A1
SCHEMBL5047774 0.77 ENPP2 (0.33) ENPP2HTTMEN1KMT2AMAPT

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-106938992-B Condensed cyclic compound and organic light-emitting device including the same 三星显示有限公司 2023-04-14 CN disclosed