SCHEMBL21723927

SCHEMBL21723927

CCN(CC)c1ccc(-c2cc3c(s2)c(-c2ccc(C(=O)O)cc2)cc(=O)n3C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.44
RARG P13631 8/20 0.44
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 4/20 0.42
HPGD P15428 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
THRB P10828 2/20 0.42
PKM P14618 2/20 0.42
MDM2 Q00987 2/20 0.42
GAA P10253 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL21723978 0.89 HSD17B10 (0.44) MAPTALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL21723837 0.89 MAPT (0.36) RARBRARGMAPTALDH1A1MAPK1
SCHEMBL27217472 0.88 ESR1 (0.35) MAPTALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL23451965 0.85 ALDH1A1 (0.38) RARBRARGMAPTALDH1A1MAPK1
SCHEMBL21723952 0.84 GSK3B (0.41) MAPTALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL21723905 0.83 PGR (0.39) MAPTALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL21723957 0.80 BACE1 (0.39) MAPTALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL21723917 0.80 ALDH1A1 (0.38) MAPTALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL23452121 0.78 MAPT (0.37) MAPTALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL21723630 0.78 GSK3B (0.38) MAPTALDH1A1MAPK1HPGDL3MBTL1

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
WO-2020036243-A1 METHOD FOR SYNTHESIZING THIENO[3,2-B]PYRIDINE-5(4H)-ONE DERIVATIVE COMPOUND, USING GOLD CATALYST, AND USE THEREFOR 한국해양과학기술원 2020-02-20 WO disclosed