SCHEMBL20158817

SCHEMBL20158817

CCC(=O)c1ccc2c(c1)C(=O)N(c1ccc3cc(NC)ccc3c1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GFER P55789 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ CA1 P00915 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MET P08581 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL20158815 0.86 MEN1 (0.51) ALDH1A1NPSR1MEN1KMT2AGFER
SCHEMBL20158816 0.85 MEN1 (0.50) ALDH1A1NPSR1MEN1KMT2AGFER
SCHEMBL20158813 0.75 CA9 (0.60) ALDH1A1NPSR1MEN1KMT2AGFER
SCHEMBL13533871 0.75 POLB (0.60) ALDH1A1NPSR1MEN1KMT2AGFER
SCHEMBL28413439 0.73 NPSR1 (0.69) ALDH1A1NPSR1MEN1KMT2AGFER
SCHEMBL675762 0.72 POLB (0.54) ALDH1A1NPSR1MEN1KMT2AGFER
SCHEMBL676344 0.72 POLB (0.60) ALDH1A1NPSR1MEN1KMT2AGFER
SCHEMBL675768 0.71 MEN1 (0.57) ALDH1A1NPSR1MEN1KMT2AGFER
SCHEMBL9520986 0.70 CA9 (0.65) ALDH1A1MEN1KMT2ACA1CA9
SCHEMBL21892240 0.69 ALDH1A1 (0.54) ALDH1A1NPSR1MEN1KMT2AGFER

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-20180134847-A1 POLYMERS AND RESIN COMPOSITION EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-05-17 — — US disclosed
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