SCHEMBL9713938

SCHEMBL9713938

NC(=O)c1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
TSHR P16473 4/20 0.50
LMNA P02545 2/20 0.50
MPO P05164 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HKDC1 Q2TB90 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
YWHAG P61981 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
HSD11B1 P28845 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
SCHEMBL8650887 0.86 HTR6 (0.50) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL9713812 0.85 PKM (0.49) HTR6TSHRLMNAMPOCYP3A4
Hydrochloric Acid SCHEMBL9713979 0.83 HTR6 (0.47) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL27492085 0.83 HTR6 (0.54) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL9714080 0.81 GAA (0.51) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL9714078 0.81 CA4 (0.46) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL9714037 0.80 PKM (0.46) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL1744678 0.80 CA2 (0.49) TSHRCYP3A4CYP2C9MEN1KMT2A
SCHEMBL7865326 0.77 HKDC1 (0.57) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL4951605 0.76 HTR6 (0.62) HTR6TSHRLMNAMPOCYP3A4

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