SCHEMBL8865610

SCHEMBL8865610

N#CCc1cccc(-c2c3nc(c(-c4cccc(CC#N)c4)c4ccc([nH]4)c(-c4cccc(CC#N)c4)c4nc(c(-c5cccc(CC#N)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.46
▸ TERT O14746 4/20 0.43
▸ KDM5B Q9UGL1 1/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ TOP1 P11387 2/20 0.40
▸ CYCS P99999 3/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ TGFBR1 P36897 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
SCHEMBL4262943 0.83 TERT (0.40) TERTSTAT3STAT1TOP1CYCS
SCHEMBL4274586 0.82 TERT (0.40) TERTSTAT3STAT1TOP1CYCS
SCHEMBL8865508 0.81 TERT (0.46) TERTSTAT3STAT1TOP1CYCS
SCHEMBL4268731 0.81 TERT (0.46) TERTSTAT3STAT1TOP1CYCS
SCHEMBL4266268 0.81 TERT (0.46) TERTSTAT3STAT1TOP1CYCS
SCHEMBL4262695 0.80 STAT3 (0.44) TERTSTAT3STAT1TOP1CYCS
SCHEMBL4269985 0.80 STAT3 (0.44) TERTSTAT3STAT1TOP1CYCS
SCHEMBL4266057 0.79 STAT3 (0.43) TERTSTAT3STAT1TOP1CYCS
SCHEMBL29777543 0.78 CYP19A1 (0.47) TERTSTAT3STAT1TOP1CYCS
SCHEMBL1639281 0.78 TOP1 (0.50) TERTSTAT3STAT1TOP1CYCS

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 3 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
US-5674467-A USED IN NMR DIAGNOSIS, RADIODIAGNOSIS OR RADIOTHERAPY INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1997-10-07 — — US 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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