SCHEMBL31045644

SCHEMBL31045644

CCO[Si](CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MAPT P10636 9/20 0.48
MAPK1 P28482 8/20 0.48
TDP1 Q9NUW8 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 1/20 0.48
HCAR3 P49019 2/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 5/20 0.46
LMNA P02545 4/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 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
SCHEMBL12486687 1.00 CRHBP (0.52) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL8810869 0.82 HCAR3 (0.68) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL1558414 0.81 CRHBP (0.48) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL303646 0.78 MAPT (0.63) CRHBPCRHR2MAPTMAPK1SMN1; SMN2
SCHEMBL29351451 0.78 MAPT (0.63) CRHBPCRHR2MAPTMAPK1SMN1; SMN2
SCHEMBL10089736 0.75 CRHBP (0.68) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL8673641 0.74 HCAR3 (0.66) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL2717483 0.74 CRHBP (0.46) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL9140856 0.74 CRHBP (0.60) CRHBPCRHR2MAPTMAPK1TDP1
Ethylamine SCHEMBL5152975 0.74 MAPT (0.50) MAPTMAPK1TDP1SMN1; SMN2KDM4E

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
WO-2024182425-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES/DISORDERS NOUREDDINE ACHRAF (US) 2024-09-06 WO disclosed