SCHEMBL9713834

SCHEMBL9713834

Cc1cc(N)ccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 3/20 0.46
RECQL P46063 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
NT5E P21589 1/20 0.46
KMT2A Q03164 3/20 0.45

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
SCHEMBL7195431 0.85 L3MBTL1 (0.63) L3MBTL1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL6491745 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRCA12
SCHEMBL9741793 0.81 NT5E (0.61) ALDH1A1CYP3A4TDP1TSHRCA12
SCHEMBL8866719 0.80 KMT2A (0.53) L3MBTL1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL7181927 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL9713947 0.79 MAPT (0.53) L3MBTL1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL9713800 0.79 ALDH1A1 (0.56) L3MBTL1ALDH1A1CYP3A4TDP1RECQL
SCHEMBL5554575 0.79 L3MBTL1 (0.59) L3MBTL1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL5485573 0.79 ALDH1A1 (0.62) L3MBTL1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL2762326 0.78 ALDH1A1 (0.75) ALDH1A1CYP3A4TSHRCA12CA1

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