SCHEMBL28930641

SCHEMBL28930641

OCCOCCCOc1ccc(-c2c3nc(c(Cl)c4ccc([nH]4)c(-c4ccc(OCCCOCCO)cc4)c4nc(c(Cl)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.44
▸ TOP1 P11387 4/20 0.41
▸ CYCS P99999 3/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLCO1B3 Q9NPD5 1/20 0.34
▸ SLCO1B1 Q9Y6L6 1/20 0.34
▸ DHFR P00374 1/20 0.34

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
SCHEMBL28667156 0.96 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28671162 0.92 TERT (0.43) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28665645 0.89 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28689706 0.87 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28675056 0.86 TOP1 (0.47) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28930627 0.83 TOP1 (0.42) TERTTOP1CYCSENPP2ABCG2
SCHEMBL21870670 0.83 TOP1 (0.47) TERTTOP1CYCSENPP2ABCG2
SCHEMBL14181436 0.83 TOP1 (0.47) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28684338 0.82 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL12633085 0.81 TERT (0.47) TERTTOP1CYCSENPP2ABCG2

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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