SCHEMBL8865041

SCHEMBL8865041

Cc1ccc(S(=O)(=O)N(CC(=O)OC(C)C)Cc2cccc(-c3c4nc(c(-c5cccc(CN(CC(=O)OC(C)C)S(=O)(=O)c6ccc(C)cc6)c5)c5ccc([nH]5)c(-c5cccc(CN(CC(=O)OC(C)C)S(=O)(=O)c6ccc(C)cc6)c5)c5nc(c(-c6cccc(CN(CC(=O)OC(C)C)S(=O)(=O)c7ccc(C)cc7)c6)c6ccc3[nH]6)C=C5)C=C4)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.42
▸ DAGLA Q9Y4D2 3/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA4 P22748 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ TAS2R14 Q9NYV8 3/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ MEP1B Q16820 1/20 0.36

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
SCHEMBL8865560 0.91 DAGLA (0.36) TERTDAGLACNR2THRBCA12
SCHEMBL8909349 0.88 DAGLA (0.47) TERTDAGLACNR2CA12CA1
SCHEMBL8909326 0.88 TERT (0.46) TERTDAGLACNR2THRBCA12
SCHEMBL8907922 0.85 ACLY (0.33) TERTDAGLAENPP2
SCHEMBL8909537 0.76 TOP1 (0.43) TERTENPP2
SCHEMBL8908860 0.74 TOP1 (0.41) TERTENPP2
SCHEMBL13495284 0.72 ENPP2 (0.53) TERTENPP2
SCHEMBL8908451 0.72 CYP19A1 (0.60) TERTTHRBCA12CA9ENPP2
SCHEMBL8908306 0.69 TOP1 (0.48) TERTENPP2
SCHEMBL8907738 0.69 ABCG2 (0.49) TERTENPP2

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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