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SCHEMBL27895002

SCHEMBL27895002

CN(C)c1ccc(-c2c3nc(c(-c4cccc5ccccc45)c4ccc([nH]4)c(-c4cccc5ccccc45)c4nc(c(-c5cccc6ccccc56)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.57
▸ TERT O14746 3/20 0.44
▸ CYCS P99999 3/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GUSB P08236 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL31055464 0.85 GSK3B (0.46) TOP1TERTCYCS
SCHEMBL4320743 0.85 GSK3B (0.46) TOP1TERTCYCS
SCHEMBL31055465 0.85 GSK3B (0.46) TOP1TERTCYCS
SCHEMBL31055466 0.85 GSK3B (0.46) TOP1TERTCYCS
SCHEMBL29055662 0.85 TOP1 (0.48) TOP1TERTCYCSENPP2ABCG2
SCHEMBL30519860 0.85 TOP1 (0.48) TOP1TERTCYCSENPP2ABCG2
SCHEMBL4447465 0.84 TOP1 (0.76) TOP1TERTCYCSENPP2STAT3
SCHEMBL30128562 0.84 TOP1 (0.76) TOP1TERTCYCSENPP2STAT3
SCHEMBL11329064 0.82 TOP1 (0.74) TOP1TERTCYCSENPP2STAT3
SCHEMBL27894995 0.78 CDK4 (0.44) TOP1TERTCYCSENPP2STAT3

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
CN-102952140-A Microwave synthesis method of three asymmetric porphyrins UNIV EAST CHINA SCIENCE & TECH 2013-03-06 — — CN disclosed
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