SCHEMBL9713754

SCHEMBL9713754

N#Cc1cc(Sc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
VCAM1 P19320 3/20 0.46
PDE7A Q13946 1/20 0.46
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
LMNA P02545 1/20 0.41
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
GRM6 O15303 1/20 0.41

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
SCHEMBL590472 0.88 MAOA (0.61) MAPTMEN1KMT2AALDH1A1VCAM1
SCHEMBL7281646 0.83 MAOB (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL592155 0.82 VCAM1 (0.41) MAPTMEN1KMT2AALDH1A1VCAM1
SCHEMBL8388465 0.82 PDE7A (0.54) MAPTMAPK1VCAM1PDE7AMAOA
SCHEMBL8390638 0.82 MAOA (0.46) MAPTMEN1KMT2AALDH1A1VCAM1
SCHEMBL698847 0.82 VCAM1 (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL591089 0.80 MAOA (0.44) MAPTMEN1KMT2AALDH1A1VCAM1
SCHEMBL9433775 0.80 VCAM1 (0.46) MAPTMEN1KMT2AALDH1A1VCAM1
SCHEMBL14378076 0.77 MAPT (0.59) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3328543 0.76 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1

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