SCHEMBL9713847

SCHEMBL9713847

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
KCNH3 Q9ULD8 1/20 0.45
POLB P06746 2/20 0.45
CYTH2 Q99418 1/20 0.42
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 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
SCHEMBL9713800 0.85 ALDH1A1 (0.56) KMT2APOLBCYTH2MEN1ALDH1A1
SCHEMBL9714060 0.82 CYP2C19 (0.47) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL9713970 0.82 MAPT (0.59) KMT2APOLBCYTH2MEN1ALDH1A1
SCHEMBL9713771 0.80 MAPT (0.60) KMT2APOLBMEN1ALDH1A1L3MBTL1
SCHEMBL9713773 0.80 KMT2A (0.56) KMT2APOLBCYTH2MEN1ALDH1A1
SCHEMBL9713843 0.80 MAPT (0.50) KMT2APOLBCYTH2MEN1ALDH1A1
SCHEMBL9713607 0.79 MAPT (0.59) KMT2APOLBMEN1ALDH1A1L3MBTL1
SCHEMBL9713834 0.76 L3MBTL1 (0.51) KMT2APOLBCYTH2MEN1ALDH1A1
SCHEMBL3141855 0.76 KCNH3 (0.63) KMT2AKCNH3POLBMEN1ALDH1A1
SCHEMBL9713819 0.76 MAPT (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2

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