SCHEMBL9577459

SCHEMBL9577459

CCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
CYP2C19 P33261 2/20 0.41
PKM P14618 2/20 0.41
CYP3A4 P08684 3/20 0.40
HTR6 P50406 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 1/20 0.38
GAA P10253 1/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL9714097 0.90 CNR2 (0.43) CA1CA2CA9CA12ABCC9
SCHEMBL9713906 0.89 L3MBTL1 (0.43) CA1CA2CA9CA12ABCC9
SCHEMBL9714074 0.84 CA1 (0.44) CA1CA2CA9CA12CYP2C19
SCHEMBL9713843 0.83 MAPT (0.50) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL9713975 0.81 HTR6 (0.50) CA1CA2CA12ABCC9ABCC8
SCHEMBL10716571 0.79 ATM (0.58) CA1CA2CA9CA12ABCC9
SCHEMBL9714060 0.78 CYP2C19 (0.47) ABCC9ABCC8KCNJ11KCNJ8CYP2C19
SCHEMBL7195431 0.77 L3MBTL1 (0.63) CA1CA2CA9CA12CYP2C19
SCHEMBL11590652 0.75 HTR6 (0.52) PKMCYP3A4HTR6L3MBTL1LMNA
SCHEMBL9713819 0.74 MAPT (0.49) LMNAGAAALDH1A1MEN1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165422-B1 SUBSTITUTED BIS-(4-AMINOPHENYL)-SULPHONES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1988-03-09 EP claimed
EP-0165422-A1 Substituted bis-(4-aminophenyl)-sulphones, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1985-12-27 EP claimed
US-5270037-A Use of interferon and a substance with an antimalarial activity for the treatment of malaria infections BOEHRINGER INGELHEIM GMBH (DE) 1993-12-14 US disclosed
EP-0490250-A2 Use of interferon and an antimalarial agent for the treatment of malarial infections BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1992-06-17 EP disclosed
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