SCHEMBL25037566

SCHEMBL25037566

CCOC(=O)/C(=N/NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
ABCB1 P08183 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KYAT1 Q16773 1/20 0.38
POLB P06746 1/20 0.38
OPRK1 P41145 1/20 0.37

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
SCHEMBL22704140 0.91 NPC1 (0.40) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL21185628 0.89 MAPT (0.43) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL21753503 0.89 MAPT (0.43) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL29154994 0.86 GAA (0.45) MAPTL3MBTL1GAAMEN1KMT2A
SCHEMBL25037571 0.79 MAPT (0.39) MAPTMEN1KMT2AALDH1A1ABCB1
SCHEMBL16559311 0.79 MAPT (0.39) MAPTMEN1KMT2AALDH1A1ABCB1
SCHEMBL973145 0.77 GAA (0.53) MAPTL3MBTL1GAAMEN1KMT2A
SCHEMBL8190181 0.77 GAA (0.53) MAPTL3MBTL1GAAMEN1KMT2A
SCHEMBL973146 0.77 GAA (0.53) MAPTL3MBTL1GAAMEN1KMT2A
SCHEMBL20877908 0.76 PPARA (0.43) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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-2023016296-A1 HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-02-16 WO disclosed