SCHEMBL9752561

SCHEMBL9752561

COC(=O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2SSc2ccccc2N2C(=O)c4ccc(C(=O)c5ccc(C(=O)O)c(C(=O)O)c5)cc4C2=O)C3=O)cc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.58
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
RECQL P46063 1/20 0.46
ENPP2 Q13822 1/20 0.46
DNM2 P50570 1/20 0.43
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA4 P22748 2/20 0.40
GAA P10253 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL9277001 0.82 APEX1 (0.48) APEX1ALDH1A1HSD17B10RECQLENPP2
SCHEMBL9752402 0.79 ALDH1A1 (0.68) APEX1ALDH1A1HSD17B10RECQLENPP2
SCHEMBL8013838 0.76 POLB (0.59) ALDH1A1HSD17B10CA1CA9CA12
SCHEMBL6339256 0.75 POLB (0.61) ALDH1A1HSD17B10CA1CA9CA12
SCHEMBL6339253 0.75 POLB (0.61) ALDH1A1HSD17B10CA1CA9CA12
SCHEMBL13941280 0.73 POLB (0.58) ALDH1A1HSD17B10CA1CA9CA12
SCHEMBL8013837 0.73 POLB (0.58) ALDH1A1HSD17B10CA1CA9CA12
SCHEMBL29586986 0.73 POLB (0.58) ALDH1A1HSD17B10CA1CA9CA12
SCHEMBL21857465 0.72 ALDH1A1 (0.62) APEX1ALDH1A1HSD17B10RECQLMEN1
SCHEMBL21856999 0.71 ALDH1A1 (0.60) APEX1ALDH1A1HSD17B10RECQLMEN1

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
WO-1991000310-A1 REACTIVELY CAPPED POLYARYLENE SULFIDES AND METHOD AND INERMEDIATES FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 1991-01-10 WO disclosed