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SCHEMBL14285082

SCHEMBL14285082

Cn1cc2cc1/C(c1cccc(O)c1)=C1/C=CC(=N1)/C(c1cccc(O)c1)=c1/cc/c([nH]1)=C(\c1cccc(O)c1)C1=N/C(=C\2c2cccc(O)c2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 7/20 0.35
▸ FYN P06241 4/20 0.32
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNB3 Q8WWL7 1/20 0.30
▸ EPHB4 P54760 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL14535750 0.88 BRD9 (0.32) —
SCHEMBL249200 0.74 HSD17B1 (0.47) CCNB2CDK1CCNB1CCNB3
SCHEMBL8907704 0.72 CCNB2 (0.32) CCNB2CDK1CCNB1CCNB3
SCHEMBL4411632 0.70 HSD17B1 (0.43) ADORA1
SCHEMBL4411533 0.70 HSD17B1 (0.43) ADORA1
SCHEMBL4412721 0.70 HSD17B1 (0.43) ADORA1
SCHEMBL5016512 0.69 — —
SCHEMBL14535751 0.65 — —
SCHEMBL17651780 0.65 HSD17B1 (0.38) CCNB2CDK1CCNB1CCNB3
SCHEMBL17651814 0.65 HSD17B1 (0.38) CCNB2CDK1CCNB1CCNB3

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
US-7319147-B2 Porphyrins and related compounds BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2008-01-15 — — US disclosed
US-7319147-B2 Porphyrins and related compounds BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2008-01-15 — — US disclosed
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