SCHEMBL21183433

SCHEMBL21183433

CCCCc1cc(Br)cc(CC)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CTRC Q99895 1/20 0.31
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 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
SCHEMBL24772321 0.87 LMNA (0.38) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL27042897 0.76 LMNA (0.34) ALDH1A1LMNAGABRA1GABRB2
SCHEMBL7076612 0.75 TYR (0.33) TYREGFR
SCHEMBL952521 0.74 GAA (0.41) GAATDP1L3MBTL1KDM4EGABRA1
SCHEMBL17376732 0.74 ERN1 (0.42) TYRGAAL3MBTL1MAPK1LMNA
SCHEMBL955871 0.73 GAA (0.42) GAATDP1L3MBTL1KDM4E
SCHEMBL27260823 0.73 ALOX5 (0.51) TYRTDP1MEN1KMT2A
SCHEMBL9520453 0.70 CTRC (0.37) TYRGAATDP1L3MBTL1ALDH1A1
SCHEMBL3869269 0.70 GABRA1 (0.36) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL3970026 0.69 MAPK1 (0.53) TYRGAAALDH1A1KDM4EMEN1

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
WO-2019144041-A1 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2019-07-25 — — WO disclosed
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