SCHEMBL9713800

SCHEMBL9713800

CNc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 6/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
POLB P06746 3/20 0.47
CYTH2 Q99418 1/20 0.45
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43

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
SCHEMBL9713970 0.85 MAPT (0.59) ALDH1A1RECQLHSD17B10KMT2ACA1
SCHEMBL9713847 0.85 KMT2A (0.50) ALDH1A1RECQLHSD17B10KMT2ACA1
SCHEMBL9713773 0.83 KMT2A (0.56) ALDH1A1KMT2ACA1CA2CA12
SCHEMBL9713843 0.83 MAPT (0.50) ALDH1A1KMT2APOLBCYTH2ABCC9
SCHEMBL4471540 0.81 ALDH1A1 (0.78) ALDH1A1RECQLHSD17B10KMT2ACA1
SCHEMBL9713771 0.81 MAPT (0.60) ALDH1A1KMT2APOLBMEN1EPHX2
SCHEMBL9713975 0.81 HTR6 (0.50) ALDH1A1KMT2ACA1CA2CA12
SCHEMBL9713607 0.80 MAPT (0.59) ALDH1A1KMT2APOLBMEN1EPHX2
SCHEMBL9713834 0.79 L3MBTL1 (0.51) ALDH1A1RECQLKMT2ACA1CA2
SCHEMBL9713819 0.79 MAPT (0.49) ALDH1A1KMT2AMEN1RAB9AMAPT

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 4 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-A1 Substituted bis-(4-aminophenyl)-sulphones, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1985-12-27 EP disclosed