SCHEMBL8909559

SCHEMBL8909559

NCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCN)c4)c4ccc([nH]4)c(-c4cccc(OCCCN)c4)c4nc(c(-c5cccc(OCCCN)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.42
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ TOP1 P11387 2/20 0.39
▸ DHFR P00374 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ CYCS P99999 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL6843058 0.87 CYP1A2 (0.48) TERTDHFR
SCHEMBL14806867 0.85 MAOA (0.40) TERTTOP1STAT3STAT1CYCS
SCHEMBL584884 0.85 TSHR (0.47) TERTDHFR
SCHEMBL14806849 0.85 MAOA (0.40) TERTTOP1STAT3STAT1CYCS
Magnesium SCHEMBL27976597 0.84 MAOA (0.40) TERTTOP1STAT3STAT1CYCS
SCHEMBL14806858 0.84 MAOA (0.40) TERTTOP1STAT3STAT1CYCS
SCHEMBL14806856 0.84 MAOA (0.40) TERTTOP1STAT3STAT1CYCS
Zinc Ion SCHEMBL15899296 0.84 MAOA (0.40) TERTTOP1CYCSHDAC3HDAC4
SCHEMBL15939977 0.84 MAOA (0.40) TERTTOP1STAT3STAT1CYCS
SCHEMBL30293912 0.80 HDAC1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 — — WO disclosed
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