SCHEMBL17681577

SCHEMBL17681577

CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(-c3ccc(OC)cc3)c3nc(c(-c4ccc(OC)cc4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 3/20 0.50
▸ CDK1 P06493 3/20 0.50
▸ CCNB1 P14635 3/20 0.50
▸ GSK3A P49840 3/20 0.50
▸ GSK3B P49841 3/20 0.50
▸ CCNB3 Q8WWL7 3/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ CDK5 Q00535 2/20 0.44
▸ CDK5R1 Q15078 2/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ ZAP70 P43403 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ TERT O14746 3/20 0.43
▸ DCTPP1 Q9H773 1/20 0.42
▸ TOP1 P11387 4/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL17681581 1.00 CCNB2 (0.50) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL17681579 0.87 GCGR (0.51) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL30567312 0.85 TERT (0.49) ABCG2TERTTOP1CYCSENPP2
SCHEMBL8198888 0.84 TERT (0.46) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10614661 0.84 TOP1 (0.56) ABCG2TERTTOP1CYCSENPP2
SCHEMBL6535064 0.84 TERT (0.46) ABCG2TERTTOP1CYCSENPP2
SCHEMBL9231247 0.84 TERT (0.48) ABCG2TERTTOP1CYCSENPP2
SCHEMBL2342864 0.84 ABCG2 (0.56) ABCG2TERTTOP1CYCSENPP2
SCHEMBL2319605 0.84 ABCG2 (0.56) ABCG2TERTTOP1CYCSENPP2
SCHEMBL2318530 0.84 ABCG2 (0.56) ABCG2TERTTOP1CYCSENPP2

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
US-9315510-B2 Method and application of unsymmetrically meso-substituted porphyrins and chlorins for PDT BIOLITEC PHARMA MARKETING LTD (MY) 2016-04-19 — — US claimed
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