SCHEMBL6534758

SCHEMBL6534758

COc1ccc(Cl)cc1S(=O)(=O)N(C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
KMT2A Q03164 2/20 0.53
TSHR P16473 3/20 0.52
NPC1 O15118 1/20 0.52
CPT1A P50416 1/20 0.52
CPT1B Q92523 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.51
ACLY P53396 2/20 0.51
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
PGR P06401 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALPL P05186 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL7535289 0.82 ALDH1A1 (0.54) KDM4EKMT2ATSHRRAB9AALDH1A1
SCHEMBL3819213 0.82 KMT2A (0.57) KDM4EKMT2ATSHRMCOLN3POLB
SCHEMBL10300197 0.80 KDM4E (0.53) KDM4EKMT2ATSHRNPC1MCOLN3
SCHEMBL28060100 0.79 KDM4E (0.63) KDM4EKMT2AMCOLN3ACLYALDH1A1
SCHEMBL28066164 0.77 KDM4E (0.69) KDM4EKMT2ATSHRMCOLN3ACLY
SCHEMBL19194087 0.76 KDM4E (0.59) KDM4EKMT2AMCOLN3ACLYALDH1A1
SCHEMBL31234854 0.75 ALDH1A1 (0.62) KDM4EKMT2ATSHRALDH1A1POLB
SCHEMBL31234711 0.74 KDM4E (0.45) KDM4EKMT2ATSHRNPC1CPT1A
SCHEMBL13577045 0.74 KMT2A (0.47) KDM4EKMT2ATSHRMCOLN3PGR
SCHEMBL15953603 0.73 SIRT2 (0.60) KDM4ENPC1CPT1ACPT1BRAB9A

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
EP-1011652-A4 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS UNIV THE SCIENCES IN PHILADELP (US) 2004-12-22 EP disclosed
US-6303630-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION BYADMINISTERING TO A HUMAN DIARYLSULFONE COMPOUND UNIVERSITY OF THE SCIENCES IN PHILADELPHIA 2001-10-16 US disclosed
EP-1011652-A1 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS University of the Sciences in Philadelphia (US) 2000-06-28 EP disclosed
US-6063790-A TREATMENT OF AIDS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2000-05-16 US disclosed
WO-1999006037-A1 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 1999-02-11 WO disclosed