Sugi Predict

Sugi Predict / Compounds / SCHEMBL8909537

SCHEMBL8909537

SCHEMBL8909537

CC(C)OC(=O)CN(CC(=O)OC(C)C)c1cccc(-c2c3nc(c(-c4cccc(N(CC(=O)OC(C)C)CC(=O)OC(C)C)c4)c4ccc([nH]4)c(-c4cccc(N(CC(=O)OC(C)C)CC(=O)OC(C)C)c4)c4nc(c(-c5cccc(N(CC(=O)OC(C)C)CC(=O)OC(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.43
▸ CYCS P99999 4/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ TERT O14746 3/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 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
SCHEMBL8908860 0.89 TOP1 (0.41) TOP1CYCSABCG2TERTENPP2
SCHEMBL8907966 0.82 TOP1 (0.49) TOP1CYCSABCG2TERTENPP2
SCHEMBL8907940 0.81 TOP1 (0.45) TOP1CYCSABCG2TERTENPP2
SCHEMBL8865576 0.78 PDE3B (0.41) TOP1CYCSABCG2
SCHEMBL8865041 0.76 TERT (0.42) TERTENPP2
SCHEMBL8909545 0.73 F2 (0.34) MEN1NPC1RAB9AKMT2ATSHR
SCHEMBL8865488 0.73 MAPT (0.55) TOP1CYCSABCG2TERTENPP2
SCHEMBL8907738 0.71 ABCG2 (0.49) TOP1CYCSABCG2TERTENPP2
SCHEMBL17996766 0.71 TERT (0.47) TOP1CYCSTERTENPP2
SCHEMBL8865552 0.70 TSHR (0.43) TOP1CYCSABCG2MEN1NPC1

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
Send feedback