SCHEMBL20799602

SCHEMBL20799602

O=C(O)CNC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
DDX3X O00571 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
ALOX5 P09917 1/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
P2RX1 P51575 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ACP1 P24666 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5111614 0.85 MEN1 (0.72) MEN1KMT2AHTTMAPTPOLB
SCHEMBL3978453 0.84 MEN1 (0.69) MEN1KMT2AHTTMAPTPOLB
Potassium Ion SCHEMBL3975659 0.83 MEN1 (0.68) MEN1KMT2AHTTMAPTPOLB
Potassium Ion SCHEMBL3975546 0.81 MEN1 (0.65) MEN1KMT2AHTTMAPTPOLB
SCHEMBL7918648 0.81 HTT (0.50) CASRMEN1KMT2AHTTMAPT
SCHEMBL20799607 0.79 KMT2A (0.54) CASRMEN1KMT2AHTTMAPT
SCHEMBL9652246 0.77 ALOX5 (0.54) MEN1KMT2AHTTMAPTPOLB
SCHEMBL11340446 0.77 PKM (0.56) MEN1KMT2AHTTMAPTALOX5
SCHEMBL20323996 0.76 KMT2A (0.54) CASRMEN1KMT2AHTTMAPT
SCHEMBL8476525 0.74 LMNA (0.69) MEN1KMT2AHTTMAPTPOLB

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-2811295-B1 SEPARATING AGENT AND METHOD FOR MANUFACTURING SAME SHISEIDO CO LTD (JP) 2019-03-13 EP disclosed