SCHEMBL9713772

SCHEMBL9713772

N#Cc1cc(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
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
MPO P05164 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 2/20 0.42
HKDC1 Q2TB90 1/20 0.42
HSD11B1 P28845 2/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 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
SCHEMBL10692275 0.90 ALDH1A1 (0.57) HTR6LMNACYP3A4CYP2C9ALDH1A1
SCHEMBL12550087 0.89 KDM4E (0.47) HTR6LMNATSHRCYP3A4CYP2C9
SCHEMBL20379715 0.84 NAMPT (0.47) HTR6LMNACYP3A4CYP2C9ALDH1A1
SCHEMBL4159366 0.83 HSD11B1 (0.57) HTR6LMNATSHRCYP3A4CYP2C9
SCHEMBL9713825 0.80 ABCC9 (0.45) HTR6LMNATSHRCYP3A4CYP2C9
SCHEMBL25176129 0.80 KDM4E (0.46) LMNATSHRCYP3A4CYP2C9ALDH1A1
SCHEMBL13631541 0.79 KDM4E (0.44) LMNATSHRCYP3A4CYP2C9ALDH1A1
SCHEMBL5865136 0.76 KDM4E (0.57) CYP3A4CYP2C9ALDH1A1KDM4EMEN1
SCHEMBL9713868 0.76 HTR6 (0.62) HTR6LMNATSHRCYP3A4CYP2C9
SCHEMBL2854913 0.76 KDM4E (0.46) LMNACYP3A4CYP2C9ALDH1A1KDM4E

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