SCHEMBL6534665

SCHEMBL6534665

CNc1cc(Cl)ccc1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
CNR2 P34972 9/20 0.50
PKM P14618 1/20 0.50
HTR6 P50406 2/20 0.47
CCR2 P41597 1/20 0.47
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CNR1 P21554 3/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL6535210 0.89 LMNA (0.52) LMNAMAPTTP53CNR2PKM
SCHEMBL7865941 0.84 FFAR4 (0.52) LMNAMAPTCNR2PKMHTR6
SCHEMBL4745384 0.76 PKM (0.79) LMNAMAPTTP53PKMFFAR4
SCHEMBL6534945 0.75 FFAR4 (0.56) LMNAMAPTTP53CNR2PKM
SCHEMBL13241565 0.74 PKM (0.63) LMNAPKMFLT1FLT4KDR
SCHEMBL24587258 0.73 CCR2 (0.63) CCR2
SCHEMBL6535042 0.70 TRPV4 (0.55) TP53HTR6
SCHEMBL28829848 0.70 CCR2 (0.51) LMNACCR2
SCHEMBL8145743 0.70 PKM (0.62) MAPTCNR2PKMHTR6FFAR4
SCHEMBL6534765 0.70 HTR6 (0.65) MAPTCNR2HTR6CNR1

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