SCHEMBL13495259

SCHEMBL13495259

CCOC(=O)N1CCN(C(=O)c2ccc(-c3c4nc(c(-c5ccc(C(=O)N6CCN(C(=O)OCC)CC6)cc5)c5ccc([nH]5)c(-c5ccc(C(=O)N6CCN(C(=O)OCC)CC6)cc5)c5nc(c(-c6ccc(C(=O)N7CCN(C(=O)OCC)CC7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 1/20 0.54
▸ TOP1 P11387 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ CYCS P99999 2/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ CYP2C19 P33261 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL12843222 0.80 CYCS (0.63) TOP1CYCSKMT2AMEN1ALDH1A1
SCHEMBL16923663 0.79 TOP1 (0.52) TOP1CYCSKMT2AMEN1ALDH1A1
SCHEMBL17934753 0.78 TOP1 (0.46) TOP1CYCSKMT2AMEN1POLB
SCHEMBL6687798 0.77 TOP1 (0.61) TOP1GAACYCSKMT2ACYP2C19
SCHEMBL16920371 0.77 TOP1 (0.49) TOP1CYCSKMT2AMEN1ALDH1A1
SCHEMBL12302070 0.73 GAA (0.77) SETD7GAAKMT2ACYP2C19MEN1
SCHEMBL17934755 0.72 TOP1 (0.52) TOP1CYCSKDM4E
SCHEMBL13495277 0.72 TOP1 (0.58) TOP1CYCSALDH1A1ABCG2
SCHEMBL8907605 0.72 ABCG2 (0.52) TOP1GAACYCSALDH1A1KDM4E
SCHEMBL3892703 0.72 ABCG2 (0.71) TOP1CYCSALDH1A1RAB9AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035013-A1 OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-02-11 — — US disclosed
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