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SCHEMBL18159015

SCHEMBL18159015

CNC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)c4cc(C(=O)Nc5ccc(C)cc5)ccc4C(=O)NC(C)CCCC(C)NC)cc3)cc2)cc1C(=O)NCCCCC(CCCC(C)NC)NC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(N4C(=O)c5ccc(C(=O)Nc6ccc(C)cc6)cc5C4=O)cc3)cc2)cc1C(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ADRA1D P25100 5/20 0.40
▸ ADRA1A P35348 5/20 0.40
▸ ADRA1B P35368 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CA1 P00915 4/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ PKM P14618 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CA4 P22748 1/20 0.34
▸ CA7 P43166 1/20 0.34

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
SCHEMBL18159014 0.96 MEN1 (0.39) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL14650888 0.80 MEN1 (0.48) MEN1KMT2AADRA1DADRA1AHTT
SCHEMBL9925318 0.74 MEN1 (0.51) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL14010047 0.73 MEN1 (0.72) MEN1KMT2AALDH1A1NPSR1CA1
SCHEMBL12134976 0.70 MEN1 (0.67) MEN1KMT2AALDH1A1NPSR1CA1
SCHEMBL4570499 0.70 MMP13 (0.61) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL24236729 0.69 MEN1 (0.66) MEN1KMT2AALDH1A1NPSR1CA1
SCHEMBL15614027 0.67 MEN1 (0.70) MEN1KMT2AALDH1A1NPSR1CA1
SCHEMBL29728135 0.66 MEN1 (0.67) MEN1KMT2AALDH1A1NPSR1CA1
SCHEMBL24236726 0.66 MEN1 (0.67) MEN1KMT2AALDH1A1NPSR1CA1

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-20160303522-A1 NANOFILTRATION MEMBRANE AND METHOD OF MANUFACTURING A NANOFILTRATION MEMBRANE EVOQUA WATER TECHNOLOGIES PTE. LTD. (SG) 2016-10-20 — — US disclosed
US-20160303522-A1 NANOFILTRATION MEMBRANE AND METHOD OF MANUFACTURING A NANOFILTRATION MEMBRANE EVOQUA WATER TECHNOLOGIES PTE. LTD. (SG) 2016-10-20 — — US disclosed
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