SCHEMBL28673929

SCHEMBL28673929

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.38
▸ TOP1 P11387 4/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ CYCS P99999 4/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 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 0.93 TERT (0.39) TERTTOP1ABCG2CYCSENPP2
SCHEMBL28680656 0.89 TERT (0.39) TERTTOP1ABCG2CYCSENPP2
SCHEMBL28673916 0.89 ABCG2 (0.42) TERTTOP1ABCG2CYCSENPP2
SCHEMBL28671049 0.85 CYCS (0.43) TERTTOP1ABCG2CYCSENPP2
SCHEMBL28689712 0.82 TERT (0.40) TERTTOP1ABCG2CYCSENPP2
SCHEMBL28675065 0.80 CYCS (0.43) TERTTOP1ABCG2CYCSENPP2
SCHEMBL28665759 0.78 ABCG2 (0.42) TERTTOP1ABCG2CYCSENPP2
SCHEMBL28675077 0.77 CYCS (0.36) TERTTOP1ABCG2CYCS
SCHEMBL28689706 0.76 TERT (0.44) TERTTOP1ABCG2CYCSENPP2
SCHEMBL28684338 0.76 TERT (0.44) TERTTOP1ABCG2CYCSENPP2

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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