SCHEMBL21455759

SCHEMBL21455759

CCOC(=O)Cc1ccccc1OC(/C=C(\C)c1cccc(CN)c1F)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CFD P00746 1/20 0.37
▸ TBXAS1 P24557 1/20 0.36
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL23617310 0.90 L3MBTL1 (0.40) L3MBTL1CFDTBXAS1HTTNPSR1
SCHEMBL24199940 0.79 L3MBTL1 (0.36) L3MBTL1CFDTBXAS1HTTNPSR1
SCHEMBL21455427 0.79 TBXAS1 (0.42) L3MBTL1CFDTBXAS1HTTPKM
SCHEMBL24200224 0.75 TBXAS1 (0.35) L3MBTL1CFDTBXAS1HTTNPSR1
SCHEMBL24200084 0.73 CFD (0.44) CFDTBXAS1PKMMEN1KMT2A
SCHEMBL21455691 0.73 TBXAS1 (0.42) L3MBTL1TBXAS1PKMMEN1KMT2A
SCHEMBL21455539 0.71 TBXAS1 (0.36) L3MBTL1TBXAS1PKMHPGDALDH1A1
SCHEMBL21455716 0.71 TBXAS1 (0.37) L3MBTL1TBXAS1HTTNPSR1PKM
SCHEMBL909198 0.71 TBXAS1 (0.48) L3MBTL1TBXAS1PKMMEN1KMT2A
SCHEMBL21455544 0.70 TBXAS1 (0.37) L3MBTL1TBXAS1HTTNPSR1TP53

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-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
Send feedback