SCHEMBL13679675

SCHEMBL13679675

CN(C)c1ccc(-c2nc(-c3ccc(/C=C/COC(=O)C(C)(C)C)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.51
▸ ABCB1 P08183 1/20 0.48
▸ ALOX5 P09917 4/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GLA P06280 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL6619832 0.83 NOX1 (0.60) NOX1ABCB1ALOX5PTPN1KMT2A
SCHEMBL6625154 0.81 ABCB1 (0.69) NOX1ABCB1ALOX5PTPN1SIRT2
SCHEMBL6606552 0.81 NOX1 (0.57) NOX1ABCB1ALOX5PTPN1SIRT2
SCHEMBL6608693 0.81 NOX1 (0.62) NOX1ABCB1ALOX5PTPN1KMT2A
SCHEMBL6620986 0.80 ABCB1 (0.56) NOX1ABCB1ALOX5PTPN1KMT2A
SCHEMBL6621640 0.79 ABCB1 (0.57) NOX1ABCB1ALOX5PTPN1MAPT
SCHEMBL6622165 0.79 NOX1 (0.62) NOX1ABCB1ALOX5PTPN1MAPT
SCHEMBL13679659 0.78 NOX1 (0.61) NOX1ABCB1ALOX5PTPN1KMT2A
SCHEMBL13679702 0.78 PTPN1 (0.72) NOX1ALOX5PTPN1KMT2AMEN1
SCHEMBL8797319 0.78 PTPN1 (0.72) NOX1ALOX5PTPN1KMT2AMEN1

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
EP-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 — — EP disclosed
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