SCHEMBL9713843

SCHEMBL9713843

CCCNc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.43
STK17A Q9UEE5 1/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
HSD11B1 P28845 2/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYTH2 Q99418 1/20 0.40

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
SCHEMBL9713819 0.91 MAPT (0.49) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9713970 0.90 MAPT (0.59) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9577459 0.83 CA1 (0.47) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL9713800 0.83 ALDH1A1 (0.56) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9713847 0.80 KMT2A (0.50) KMT2AMEN1RAB9AALDH1A1POLB
SCHEMBL10489391 0.78 MAPT (0.72) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9713773 0.78 KMT2A (0.56) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9713771 0.76 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL9713607 0.75 MAPT (0.59) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL9713834 0.74 L3MBTL1 (0.51) MAPTKMT2AMEN1ALDH1A1POLB

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