SCHEMBL7329786

SCHEMBL7329786

CCCC1C(=O)N(CSc2nnnn2-c2ccccc2)S(=O)(=O)N1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.54
ALDH1A1 P00352 3/20 0.51
PKM P14618 2/20 0.50
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7328809 0.91 ELANE (0.53) ELANEALDH1A1PKMPOLBMEN1
SCHEMBL7337976 0.83 ELANE (0.55) ELANEALDH1A1PKMNPC1CYP1A2
SCHEMBL7330895 0.80 ELANE (0.54) ELANEALDH1A1PKMPOLBMEN1
SCHEMBL8598860 0.79 ALDH1A1 (0.51) ELANEALDH1A1PKMNPC1CYP1A2
SCHEMBL7330348 0.78 ELANE (0.50) ELANEALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL7329793 0.74 ALDH1A1 (0.38) ELANEALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL7339814 0.74 ELANE (0.53) ELANEALDH1A1PKMPOLBMEN1
SCHEMBL11894907 0.71 ALDH1A1 (0.60) ALDH1A1PKMNPC1RAB9APOLB
SCHEMBL11894905 0.71 ALDH1A1 (0.60) ALDH1A1PKMNPC1RAB9APOLB
SCHEMBL7310549 0.70 ELANE (1.00) ELANEALDH1A1PKM

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-5494925-A TREATING DEGENERATIVE DISORDERS; PROTEOLYTIC ENZYME INHIBITOR STERLING WINTHROP INC. (US) 1996-02-27 US claimed
EP-0793494-A4 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-01-28 EP disclosed
EP-0793494-A1 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-10 EP disclosed
WO-1996016649-A1 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed
US-5494925-A TREATING DEGENERATIVE DISORDERS; PROTEOLYTIC ENZYME INHIBITOR STERLING WINTHROP INC. (US) 1996-02-27 US disclosed