SCHEMBL28894823

SCHEMBL28894823

CC(O)Cc1ccc(Cn2cc(F)ccc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ PTGDR2 Q9Y5Y4 4/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ KLKB1 P03952 2/20 0.37

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
SCHEMBL19501371 0.82 MAPT (0.50) MAPTPTGDR2KMT2ATHRBHTT
SCHEMBL17784859 0.80 MAPT (0.47) MAPTPTGDR2KMT2ABRD4BRD2
SCHEMBL19513362 0.80 MAPT (0.53) MAPTPTGDR2KMT2ATHRBHTT
SCHEMBL17784762 0.78 MAPT (0.45) MAPTPTGDR2KMT2ABRD4BRD2
SCHEMBL22491805 0.76 MAPT (0.44) MAPTPTGDR2KMT2ABRD4BRD2
SCHEMBL22148816 0.76 HTT (0.39) MAPTPTGDR2THRBHTT
SCHEMBL19939512 0.76 BRD4 (0.53) MAPTPTGDR2BRD4BRD2BRD3
SCHEMBL19513477 0.76 MAPT (0.41) MAPTPTGDR2KMT2ABRD4BRD2
SCHEMBL23347630 0.75 TRPA1 (0.61) HTTTRPA1POLB
SCHEMBL14520625 0.75 TRPA1 (0.61) HTTTRPA1POLB

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
CN-111433197-A Solid forms of plasma kallikrein inhibitors and salts thereof 卡尔维斯塔制药有限公司 2020-07-17 — — CN disclosed
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