SCHEMBL24200078

SCHEMBL24200078

CCOC(=O)Cc1ccccc1O/C(=C/C(=C(\C)O)c1ccc(F)c(CN)c1F)CC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TBXAS1 P24557 1/20 0.33
▸ CFD P00746 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ CXCL8 P10145 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL21455293 0.79 DPP4 (0.35) L3MBTL1CFDHPGDPARP14PARP10
SCHEMBL21561862 0.79 TBXAS1 (0.40) L3MBTL1TBXAS1CFDMEN1KMT2A
SCHEMBL23617011 0.78 L3MBTL1 (0.35) L3MBTL1TBXAS1MEN1POLBHPGD
SCHEMBL24200072 0.77 CFD (0.38) L3MBTL1TBXAS1CFDHPGDKDM4E
SCHEMBL24199900 0.76 CFD (0.39) L3MBTL1TBXAS1CFDPKMALDH1A1
SCHEMBL21455529 0.75 CFD (0.42) TBXAS1CFDALDH1A1
SCHEMBL21455546 0.75 TBXAS1 (0.40) L3MBTL1TBXAS1MEN1KMT2APKM
SCHEMBL24200109 0.74 TBXAS1 (0.34) L3MBTL1TBXAS1MEN1KMT2AALDH1A1
SCHEMBL23241618 0.73 TBXAS1 (0.38) L3MBTL1TBXAS1MEN1POLBHPGD
SCHEMBL24200164 0.73 CFD (0.42) TBXAS1CFD

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
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
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