SCHEMBL17599556

SCHEMBL17599556

CCOC(=O)C1CCCN(c2cc([N+](=O)[O-])c3ccccc3c2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 9/20 0.56
▸ MAPT P10636 6/20 0.56
▸ POLB P06746 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ S100A4 P26447 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL17599445 0.84 ALDH1A1 (0.55) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL17599469 0.81 ALDH1A1 (0.69) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL3435049 0.81 ALDH1A1 (0.70) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL21848210 0.78 MAPT (0.74) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL31175186 0.78 ALDH1A1 (0.70) KMT2AALDH1A1HTTCYP2C19KDM4E
SCHEMBL2390380 0.77 MAPT (0.63) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL17599548 0.76 NPSR1 (0.53) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL16880599 0.75 MAPT (0.58) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL28360511 0.75 MAPT (0.58) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL30608491 0.74 ALDH1A1 (0.55) KMT2AALDH1A1MAPTPOLBMEN1

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
EP-2998292-A1 Naphthyl sulfonamide derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 — — EP disclosed
EP-2998292-A1 Naphthyl sulfonamide derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 — — EP disclosed
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