SCHEMBL6156984

SCHEMBL6156984

CC(O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
MAPT P10636 9/20 0.57
MAPK1 P28482 7/20 0.57
TDP1 Q9NUW8 6/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
HTT P42858 3/20 0.57
HCAR3 P49019 3/20 0.52
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GPR35 Q9HC97 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL6163411 0.87 SMN1; SMN2 (0.53) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL10089736 0.87 CRHBP (0.68) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL11788134 0.84 ALDH1A1 (0.56) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL129286 0.84 HCAR3 (0.52) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL4626839 0.84 TSHR (0.53) CRHBPCRHR2ALDH1A1SMN1; SMN2HCAR3
SCHEMBL1888218 0.84 HCAR3 (0.54) CRHBPCRHR2MAPTALDH1A1HTT
SCHEMBL5517557 0.84 CXCR2 (0.50) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL9348638 0.83 ALDH1A1 (0.69) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL26496466 0.83 ALDH1A1 (0.69) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL6132129 0.83 ALDH1A1 (0.69) CRHBPCRHR2MAPTMAPK1TDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403533-A Method for treating keratin fibres using a carnitine salt or a carnitine derivative 莱雅公司 2025-02-07 CN disclosed
CN-118043027-A Process for dyeing and/or lightening keratin fibres 莱雅公司 2024-05-14 CN disclosed
CN-117479916-A Composition comprising at least one alkyl (poly) glycoside, at least one fatty alcohol, at least one fatty acid and at least one alkaline agent 欧莱雅 2024-01-30 CN disclosed
EP-1285269-B1 LIPID UPTAKE ASSAYS DEVGEN NV (BE) 2005-02-02 EP disclosed
US-6703214-B2 MICROSCOPIC NEMATODES IN FUNCTIONAL HIGH THROUGHPUT IN VIVO ASSAYS FOR DETECTION OF INHIBITORS OR ACTIVATORS OF INTESTINAL LIPID UPTAKE DEVGEN NV (BE) 2004-03-09 US disclosed
EP-1285269-A2 LIPID UPTAKE ASSAYS Devgen NV (BE) 2003-02-26 EP disclosed
US-20020137205-A1 Lipid uptake assays DEVGEN N.V. (BE) 2002-09-26 US disclosed
WO-2001088533-A2 LIPID UPTAKE ASSAYS DEVGEN NV (BE) 2001-11-22 WO disclosed