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SCHEMBL4263019

SCHEMBL4263019

COc1c(Br)cc(Br)c(-c2c3nc(c(-c4c(Br)cc(Br)c(OC)c4Br)c4ccc([nH]4)c(-c4c(Br)cc(Br)c(OC)c4Br)c4nc(c(-c5c(Br)cc(Br)c(OC)c5Br)c5ccc2[nH]5)C=C4)C=C3)c1Br

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ TOP1 P11387 1/20 0.35
▸ CYCS P99999 3/20 0.35

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
SCHEMBL4256404 0.78 TOP1 (0.41) TERTTOP1CYCS
SCHEMBL30679527 0.74 TERT (0.48) TERTABCG2TOP1CYCS
SCHEMBL30216888 0.73 TERT (0.43) TERTTOP1CYCS
SCHEMBL479253 0.73 TERT (0.43) TERTCA2CA4ABCG2TOP1
SCHEMBL498533 0.72 TERT (0.49) TERTABCG2TOP1CYCS
SCHEMBL29888944 0.72 TERT (0.49) TERTABCG2TOP1CYCS
SCHEMBL2868186 0.71 TERT (0.39) TERTABCG2TOP1CYCS
SCHEMBL5015256 0.70 TERT (0.42) TERTABCG2TOP1CYCS
SCHEMBL1641260 0.70 TERT (0.40) TERTABCG2TOP1CYCS
SCHEMBL18613154 0.70 TERT (0.40) TERTABCG2TOP1CYCS

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
EP-1472259-B1 TETRAPYRROLIC MACROCYCLES AS PHOTODYNAMIC AGENTS CIPAN COMP IND PROD (PT) 2009-09-02 — — EP disclosed
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