SCHEMBL20158816

SCHEMBL20158816

CCC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(NC)cc3)cc1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ POLB P06746 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CA1 P00915 5/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA4 P22748 3/20 0.45
▸ CA12 O43570 2/20 0.45
▸ STAT3 P40763 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ MET P08581 1/20 0.42

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 0.92 MEN1 (0.51) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL675762 0.88 POLB (0.54) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL20158817 0.85 ALDH1A1 (0.47) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL13533871 0.81 POLB (0.60) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL20158813 0.79 CA9 (0.60) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL9564296 0.78 CA9 (0.66) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL25918305 0.78 SCN2A (0.56) MEN1KMT2ANPSR1CA1CA9
SCHEMBL15614026 0.77 RAB9A (0.61) MEN1KMT2AGFERPOLBCA4
SCHEMBL1696020 0.77 CA9 (0.58) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL19829269 0.76 CA9 (0.50) MEN1KMT2AGFERALDH1A1NPSR1

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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