SCHEMBL27814700

SCHEMBL27814700

BrCCCCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.48
▸ CYCS P99999 4/20 0.47
▸ STAT3 P40763 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ ENPP2 Q13822 1/20 0.40
▸ TERT O14746 4/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL27793465 0.95 TOP1 (0.47) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL30739549 0.87 TOP1 (0.42) TOP1CYCSENPP2TERTABCG2
SCHEMBL588821 0.87 TERT (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL585218 0.87 TERT (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL14181444 0.87 MAPT (0.46) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL28355568 0.86 TOP1 (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL14806849 0.85 MAOA (0.40) TOP1CYCSSTAT3STAT1TERT
SCHEMBL14806867 0.85 MAOA (0.40) TOP1CYCSSTAT3STAT1TERT
SCHEMBL15939977 0.84 MAOA (0.40) TOP1CYCSSTAT3STAT1TERT
SCHEMBL14806856 0.84 MAOA (0.40) TOP1CYCSSTAT3STAT1TERT

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
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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