SCHEMBL24200319

SCHEMBL24200319

CCOC(=O)Cc1ccc(F)cc1OC(C)/C(=C/C(Br)=C(\C)O)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MKNK2 Q9HBH9 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ EGFR P00533 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PTGS1 P23219 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
SCHEMBL24200210 0.91 MEN1 (0.33) MEN1KMT2AHPGDNPSR1POLB
SCHEMBL21455828 0.90 MEN1 (0.32) MEN1KMT2AHPGDNPSR1POLB
SCHEMBL24200196 0.88 TBXAS1 (0.39) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL21455199 0.85 MAOB (0.35) MEN1KMT2AHPGDNPSR1POLB
SCHEMBL25918206 0.85 MAOB (0.35) MEN1KMT2AHPGDNPSR1POLB
SCHEMBL24200317 0.84 PTGS2 (0.35) MEN1KMT2AHPGDNPSR1POLB
SCHEMBL25918228 0.84 PTGS2 (0.35) MEN1KMT2AHPGDNPSR1POLB
SCHEMBL21455829 0.83 MEN1 (0.34) MEN1KMT2AHPGDNPSR1POLB
SCHEMBL25919838 0.83 MEN1 (0.34) MEN1KMT2AHPGDNPSR1POLB
SCHEMBL21455422 0.81 KMT2A (0.34) MEN1KMT2AHPGDNPSR1POLB

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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