SCHEMBL20158815

SCHEMBL20158815

CCC(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(NC)cc3)cc1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CA1 P00915 5/20 0.46
▸ CA9 Q16790 5/20 0.46
▸ CA4 P22748 4/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA12 O43570 3/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MET P08581 1/20 0.43
▸ SCN2A Q99250 1/20 0.42
▸ CA7 P43166 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
SCHEMBL20158816 0.92 MEN1 (0.50) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL20158813 0.87 CA9 (0.60) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL20158817 0.86 ALDH1A1 (0.47) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL13533871 0.82 POLB (0.60) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL675762 0.79 POLB (0.54) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL675768 0.76 MEN1 (0.57) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL4260868 0.74 ESR1 (0.73) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL10098928 0.74 CA9 (0.60) MEN1KMT2AGFERALDH1A1NPSR1
SCHEMBL9520986 0.74 CA9 (0.65) MEN1KMT2AALDH1A1CA1CA9
SCHEMBL18053139 0.73 POLB (0.45) 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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