SCHEMBL9631333

SCHEMBL9631333

COC(=O)N(N)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
CTSD P07339 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ABCC4 O15439 1/20 0.44
PLIN1 O60240 1/20 0.44
CACNA1F O60840 1/20 0.44
GMNN O75496 1/20 0.44
KCNK2 O95069 1/20 0.44
ABCB11 O95342 1/20 0.44
GSR P00390 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL11036917 0.84 ALDH1A1 (0.50) ALDH1A1NPSR1MAPTTDP1CTSD
SCHEMBL3378050 0.83 ALDH1A1 (0.53) ALDH1A1NPSR1MAPTTDP1CTSD
SCHEMBL8669115 0.80 PLAU (0.46) ALDH1A1MAPTTDP1CTSDKDM4E
SCHEMBL27490350 0.79 CTSD (0.53) ALDH1A1NPSR1MAPTTDP1CTSD
SCHEMBL6048773 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CTSDKMT2ASMN1; SMN2
SCHEMBL30704256 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CTSDKMT2ASMN1; SMN2
SCHEMBL28783806 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTTDP1CTSD
SCHEMBL30500285 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTTDP1KDM4E
SCHEMBL9034389 0.79 CTSD (0.44) ALDH1A1MAPTTDP1CTSDKDM4E
SCHEMBL8470246 0.76 CES2 (0.45) ALDH1A1MAPTTDP1CTSDKDM4E

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-0324988-B1 4-CHLOR-3-SULFAMOYL BENZOIC ACID HYDRAZIDES, PROCESS FOR THEIR PREPARATION, MEDICINES CONTAINING THEM AND USE OF THESE COMPOUNDS IN THE PREPARATION OF DIURETIC AND SALT REDUCING ACTIVITY MEDICINES CHINOIN GYOGYSZER ES VEGYESZET (HU) 1992-04-29 EP disclosed
EP-0324988-A1 4-Chlor-3-sulfamoyl benzoic acid hydrazides, process for their preparation, medicines containing them and use of these compounds in the preparation of diuretic and salt reducing activity medicines CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-07-26 EP disclosed