SCHEMBL21455530

SCHEMBL21455530

Cc1cc(CNC(=O)OC(C)(C)C)c(F)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ RPS6KA1 Q15418 1/20 0.38
▸ AAK1 Q2M2I8 2/20 0.37
▸ KDM4A O75164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32

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
SCHEMBL20095412 0.83 RPS6KA1 (0.47) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL30352481 0.83 PRMT5 (0.47) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL20095409 0.83 PRMT5 (0.47) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL27297404 0.82 PRMT5 (0.49) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL22664611 0.82 PRMT5 (0.45) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL17664633 0.82 PRMT5 (0.45) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL22664605 0.82 PRMT5 (0.45) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL25574986 0.82 PRMT5 (0.46) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL24502715 0.81 PRMT5 (0.48) PRMT5WDR77RPS6KA1AAK1KDM4A
SCHEMBL29903067 0.81 PRMT5 (0.48) PRMT5WDR77RPS6KA1AAK1KDM4A

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
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