SCHEMBL27793465

SCHEMBL27793465

BrCCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.47
▸ CYCS P99999 4/20 0.46
▸ STAT3 P40763 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ ENPP2 Q13822 1/20 0.42
▸ TERT O14746 4/20 0.42
▸ ABCG2 Q9UNQ0 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
SCHEMBL27814700 0.95 TOP1 (0.48) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL14181444 0.89 MAPT (0.46) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL14350959 0.89 ABCG2 (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL28355568 0.88 TOP1 (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL585218 0.86 TERT (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL588821 0.86 TERT (0.44) TOP1CYCSENPP2TERTABCG2
Pyridine SCHEMBL28010654 0.83 CYP2D6 (0.49) TOP1CYCSSTAT3STAT1TERT
SCHEMBL30739549 0.82 TOP1 (0.42) TOP1CYCSENPP2TERTABCG2
SCHEMBL21870670 0.81 TOP1 (0.47) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL14181436 0.81 TOP1 (0.47) TOP1CYCSSTAT3STAT1ENPP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103102353-A Free porphyrin, and preparation method and application thereof UNIV NORTHWESTERN 2013-05-15 — — CN claimed
CN-103102353-A Free porphyrin, and preparation method and application thereof UNIV NORTHWESTERN 2013-05-15 — — CN disclosed
CN-101851256-B Ruthenium (II) porphyrin complex connected by flexible carbon chain and preparation method and application thereof UNIV GUANGDONG PHARM 2013-01-09 — — CN disclosed
CN-101851256-A Ruthenium (II) porphyrin complex connected by flexible carbon chain and preparation method and application thereof GUANGDONG PHARMACEUTICAL UNIVERSITY 2010-10-06 — — CN disclosed
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