SCHEMBL22674058

SCHEMBL22674058

CCOC(=O)c1ccc(C(=O)C(OC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C(=O)OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 1/20 0.44
▸ FKBP1A P62942 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ UCHL1 P09936 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ POLB P06746 1/20 0.38

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 1.00 MEN1 (0.50) MEN1KMT2ANPC1FKBP1ALMNA
SCHEMBL22673848 0.99 MEN1 (0.49) MEN1KMT2ANPC1FKBP1ALMNA
SCHEMBL22673801 0.97 MEN1 (0.53) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL13747276 0.90 KMT2A (0.49) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL692266 0.89 KMT2A (0.48) MEN1KMT2ANPC1FKBP1ALMNA
SCHEMBL692265 0.89 KMT2A (0.48) MEN1KMT2ANPC1FKBP1ALMNA
SCHEMBL30500142 0.84 MEN1 (0.49) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL22673922 0.82 KMT2A (0.47) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL22673718 0.82 HPGD (0.48) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL13748014 0.81 LMNA (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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