SCHEMBL9631330

SCHEMBL9631330

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
TACR3 P29371 10/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.39
PTGES O14684 1/20 0.38

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
SCHEMBL29899039 0.84 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2ATDP1SMN1; SMN2
SCHEMBL28352428 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1KMT2ATDP1SMN1; SMN2
SCHEMBL16236160 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1KMT2ATDP1SMN1; SMN2
SCHEMBL7472041 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2ATDP1SMN1; SMN2
SCHEMBL28703250 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2ATDP1SMN1; SMN2
SCHEMBL4241780 0.77 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2ATDP1SMN1; SMN2
Acetic Acid SCHEMBL8462148 0.75 ATM (0.41) ALDH1A1L3MBTL1KMT2ASMN1; SMN2MAPT
Methyl Alcohol SCHEMBL27709287 0.71 ATM (0.41) ALDH1A1L3MBTL1KMT2ASMN1; SMN2MAPT
SCHEMBL10722115 0.71 ALDH1A1 (0.45) ALDH1A1L3MBTL1KMT2ATDP1SMN1; SMN2
SCHEMBL5696331 0.71 L3MBTL1 (0.49) ALDH1A1L3MBTL1KMT2ATDP1MAPT

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