SCHEMBL9210396

SCHEMBL9210396

CCC(=O)C(=O)N(c1ccccc1[N+](=O)[O-])C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSD P07339 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9210401 0.84 CES2 (0.46) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL248344 0.82 NPSR1 (0.44) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL248343 0.82 NPSR1 (0.44) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL2080613 0.78 ALDH1A1 (0.47) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL7292395 0.77
SCHEMBL7319626 0.75 ALDH1A1 (0.48) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL7319639 0.73 ALDH1A1 (0.39) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL7328791 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL1304855 0.73 STAT3 (0.45) ALDH1A1NPSR1MEN1KMT2ACTSD
SCHEMBL7324184 0.71 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368652-B1 Imidazoquinoxalines and their preparation NOVO NORDISK AS (DK) 1995-03-01 EP disclosed
US-4999353-A Chemical process for the preparation of imidazo-quinoxalines and intermediates for use in the process NOVO NORDISK A/S (DK) 1991-03-12 US disclosed
EP-0368652-A1 Imidazoquinoxalines and their preparation NOVO NORDISK A/S (DK) 1990-05-16 EP disclosed