SCHEMBL22673801

SCHEMBL22673801

CCOC(=O)c1ccc(C(=O)C(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C(=O)OCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ UCHL1 P09936 2/20 0.42
▸ KLK7 P49862 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22674061 0.97 MEN1 (0.50) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL22674058 0.97 MEN1 (0.50) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL22673848 0.96 MEN1 (0.49) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL13747276 0.93 KMT2A (0.49) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL692266 0.91 KMT2A (0.48) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL692265 0.91 KMT2A (0.48) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL22673718 0.85 HPGD (0.48) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL13748014 0.84 LMNA (0.52) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL22673922 0.83 KMT2A (0.47) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL13747280 0.82 KLK7 (0.53) MEN1KMT2ANPC1LMNANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966204-A1 SUBSTITUTED 1-AMINO-1H-IMIDAZOLE-5-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS Nenan Normal University (CN) 2022-03-16 — — EP disclosed
WO-2020228637-A1 SUBSTITUTED 1-AMINO-1H-IMIDAZOLE-5-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS HENAN NORMAL UNIVERSITY (CN) 2020-11-19 — — WO disclosed
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