SCHEMBL20405346

SCHEMBL20405346

COc1cccc(OC)c1-c1c2nc(c(-c3cc([N+](C)(C)C)cc([N+](C)(C)C)c3)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4cc(C5(C)CC5(C)C)cc([N+](C)(C)C)c4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.32
▸ ABCG2 Q9UNQ0 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
SCHEMBL17251752 0.81 TOP1 (0.41) TERTABCG2
SCHEMBL18613121 0.78 ABCG2 (0.44) TERTABCG2
SCHEMBL17251727 0.75 TOP1 (0.43) TERTABCG2
SCHEMBL18613154 0.75 TERT (0.40) TERTABCG2
SCHEMBL9581910 0.74 TERT (0.45) TERTABCG2
SCHEMBL29408466 0.74 TERT (0.45) TERTABCG2
SCHEMBL17251679 0.73 ABCG2 (0.41) TERTABCG2
SCHEMBL18593558 0.73 TOP1 (0.45) TERTABCG2
SCHEMBL18593559 0.72 ABCG2 (0.41) TERTABCG2
SCHEMBL5016668 0.72 TERT (0.49) TERTABCG2

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-3140312-B1 PORPHYRIN MOLECULAR CATALYSTS FOR SELECTIVE ELECTROCHEMICAL REDUCTION OF CO2 INTO CO CENTRE NAT RECH SCIENT (FR) 2018-07-25 — — EP disclosed
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