SCHEMBL13495262

SCHEMBL13495262

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.49
▸ CYCS P99999 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TOP1 P11387 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ TRPV3 Q8NET8 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TERT O14746 2/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL13495254 0.85 TOP1 (0.63) HPGDCYCSLMNATOP1ALDH1A1
SCHEMBL25395955 0.80 TOP1 (0.68) HPGDCYCSTOP1ALDH1A1TERT
SCHEMBL30493187 0.80 TOP1 (0.68) HPGDCYCSTOP1ALDH1A1TERT
SCHEMBL28499238 0.79 CYCS (0.67) HPGDCYCSTOP1ALDH1A1
SCHEMBL28500846 0.79 CYCS (0.67) HPGDCYCSTOP1ALDH1A1TERT
SCHEMBL28479053 0.79 CYCS (0.67) HPGDCYCSTOP1ALDH1A1TERT
SCHEMBL28498162 0.79 CYCS (0.67) HPGDCYCSTOP1ALDH1A1TERT
SCHEMBL18917438 0.78 TOP1 (0.69) HPGDCYCSTOP1ALDH1A1TERT
SCHEMBL13495276 0.77 TOP1 (0.46) HPGDCYCSLMNATOP1ALDH1A1
SCHEMBL17996766 0.76 TERT (0.47) CYCSTOP1TERT

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