SCHEMBL9713819

SCHEMBL9713819

CCCCCCNc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.46
TBXA2R P21731 3/20 0.44
CYP19A1 P11511 2/20 0.44
STK17A Q9UEE5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 1/20 0.43
MGLL Q99685 1/20 0.42
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 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
SCHEMBL9713843 0.91 MAPT (0.50) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9713970 0.86 MAPT (0.59) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9714097 0.85 CNR2 (0.43) MAPTALDH1A1GAALMNAMAPK1
SCHEMBL9011397 0.80 MAPT (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL10406550 0.80 MAPT (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL18932209 0.80 MAPT (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL3476080 0.80 MAPT (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL3476172 0.80 MAPT (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL3476585 0.80 MAPT (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9713800 0.79 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1RAB9A

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