SCHEMBL28673916

SCHEMBL28673916

COC(O)CCOc1ccc(-c2c3nc(c(Br)c4ccc([nH]4)c(-c4ccc(OCCC(O)OC)cc4)c4nc(c(Br)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ TOP1 P11387 4/20 0.40
▸ CYCS P99999 4/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ TERT O14746 5/20 0.38
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL28683441 0.90 TERT (0.39) ABCG2TOP1CYCSENPP2TERT
SCHEMBL28673929 0.89 TERT (0.38) ABCG2TOP1CYCSENPP2TERT
SCHEMBL28675077 0.88 CYCS (0.36) ABCG2TOP1CYCSTERT
SCHEMBL28665759 0.87 ABCG2 (0.42) ABCG2TOP1CYCSENPP2TERT
SCHEMBL28669582 0.84 CYCS (0.47) ABCG2TOP1CYCSENPP2TERT
SCHEMBL28689706 0.78 TERT (0.44) ABCG2TOP1CYCSENPP2TERT
SCHEMBL28684338 0.78 TERT (0.44) ABCG2TOP1CYCSENPP2TERT
SCHEMBL28689712 0.78 TERT (0.40) ABCG2TOP1CYCSENPP2TERT
SCHEMBL28693190 0.77 TERT (0.43) ABCG2TOP1CYCSENPP2TERT
SCHEMBL28355568 0.75 TOP1 (0.49) ABCG2TOP1CYCSENPP2TERT

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
CN-113831351-A Novel tetrapyrrole derivatives and application thereof 上海先辉医药科技有限公司 2021-12-24 — — CN claimed
CN-113831351-A Novel tetrapyrrole derivatives and application thereof 上海先辉医药科技有限公司 2021-12-24 — — CN disclosed
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