SCHEMBL28667777

SCHEMBL28667777

OCCCOCOc1ccc(-c2c3nc(c(Br)c4ccc([nH]4)c(-c4ccc(OCOCCCO)cc4)c4nc(c(Br)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.44
▸ TOP1 P11387 4/20 0.41
▸ CYCS P99999 4/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ XDH P47989 2/20 0.36
▸ CHEK2 O96017 1/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ P2RY12 Q9H244 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
SCHEMBL28684338 0.93 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28693190 0.92 TERT (0.43) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28689706 0.89 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28665645 0.87 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28683445 0.82 TOP1 (0.47) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28667156 0.80 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28671162 0.79 TERT (0.43) TERTTOP1CYCSENPP2ABCG2
SCHEMBL12190742 0.76 TERT (0.43) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28673916 0.76 ABCG2 (0.42) TERTTOP1CYCSENPP2ABCG2
SCHEMBL28930641 0.76 TERT (0.44) 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
Send feedback