SCHEMBL9714022

SCHEMBL9714022

CN(C)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 7/20 0.54
VCAM1 P19320 2/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.43
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL4802337 0.85 HSD17B10 (0.60) HSD17B10ALDH1A1VCAM1MAPTKMT2A
SCHEMBL11819145 0.82 ALDH1A1 (0.64) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL8877704 0.82 HSD17B10 (0.51) HSD17B10ALDH1A1VCAM1MAPTKMT2A
SCHEMBL9022132 0.80 HSD17B10 (0.53) HSD17B10ALDH1A1VCAM1KMT2AMEN1
SCHEMBL1131658 0.79 ALDH1A1 (0.62) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL28257783 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL8512556 0.78 ALDH1A1 (0.56) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL8176237 0.78 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2TDP1TSHR
Methane SCHEMBL28281859 0.76 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL18911092 0.76 HSD17B10 (0.45) HSD17B10ALDH1A1VCAM1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084449-A Bactericides and antiprotozoa agents DR. KARL THOMAE GMBH (DE) 1992-01-28 US disclosed
US-4992430-A Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase DR. KARL THOMAE GMBH (DE) 1991-02-12 US disclosed
US-4829058-A INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA DR. KARL THOMAE GMBH (DE) 1989-05-09 US disclosed
EP-0165422-B1 SUBSTITUTED BIS-(4-AMINOPHENYL)-SULPHONES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1988-03-09 EP disclosed
EP-0165422-A1 Substituted bis-(4-aminophenyl)-sulphones, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1985-12-27 EP disclosed