SCHEMBL22894477

SCHEMBL22894477

Cc1cc2cc3c(cc2s1)C(=O)c1cc2cc(Br)sc2cc1C3=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4436652 0.89 S100A4 (0.32) —
SCHEMBL4443306 0.89 S100A4 (0.32) —
SCHEMBL14944394 0.79 — —
SCHEMBL18433403 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20434460 0.74 APP (0.38) ALDH1A1
SCHEMBL20434461 0.71 APP (0.38) ALDH1A1
SCHEMBL2742924 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2150129 0.70 HSP90AA1 (0.30) —
SCHEMBL14227567 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4420009 0.68 ALDH1A1 (0.39) ALDH1A1

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-2817354-B1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LTD (GB) 2021-01-13 — — EP disclosed
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