SCHEMBL4780292

SCHEMBL4780292

O=S(=O)(O)c1c(C=Cc2ccccc2)cc(N=C=S)c(N=C=S)c1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD1 O60671 1/20 0.42
P2RY6 Q15077 1/20 0.42
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 2/20 0.34
LTA P01374 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
P2RX3 P56373 2/20 0.34
RAD51 Q06609 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.33
TRPA1 O75762 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL1295716 0.99 RAD1 (0.41) RAD1P2RY6APEX1ALDH1A1KDM4E
SCHEMBL28624248 0.90 RAD1 (0.42) RAD1P2RY6APEX1ALDH1A1KDM4E
SCHEMBL1976079 0.75 RAD1 (0.42) RAD1P2RY6APEX1ALDH1A1KDM4E
SCHEMBL9358952 0.74 RAD1 (0.41) RAD1P2RY6APEX1ALDH1A1KDM4E
SCHEMBL2834143 0.72 RAD1 (0.51) RAD1P2RY6APEX1ALDH1A1KDM4E
SCHEMBL29225411 0.72 P2RY6 (0.53) RAD1P2RY6APEX1ALDH1A1KDM4E
SCHEMBL156114 0.72 RAD1 (0.50) RAD1P2RY6APEX1ALDH1A1KDM4E
SCHEMBL28420132 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL2834140 0.71 RAD1 (0.48) RAD1P2RY6APEX1ALDH1A1KDM4E
SCHEMBL4969730 0.71 TRPA1 (0.41) ALDH1A1KDM4EUSP2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095665-B1 WOUND-COVERING PREPARATION, WOUND-COVERING MATERIAL, AND METHOD OF WOUND HEALING NOF CORP (JP) 2008-09-03 EP disclosed
WO-2007132207-A3 PROCESS FOR CROSS-LINKING MOIETIES MOCK GRAHAM (GB) 2008-08-21 WO disclosed
WO-2007132207-A2 PROCESS FOR CROSS-LINKING MOIETIES MOCK GRAHAM (GB) 2007-11-22 WO disclosed
US-7141365-B2 Methods for diagnosing a mucin production associated disease condition SYNTEX (U.S.A.) LLC (US) 2006-11-28 US disclosed
US-20050106213-A1 Induce growth or repair of bone tissue; matrix dopes with cell acidification controller; cement containing proton pump inhibitor, antibiotic; bone remodeling RZESZUTEK KATHY (CA) 2005-05-19 US disclosed
US-20050096258-A1 Methods and compositions for treating gastrointestinal tract mucin production associated disease conditions GRUPE ANDREW (US) 2005-05-05 US disclosed
US-20040203144-A1 Methods and compositions for treating respiratory mucin production associated disease conditions F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 US disclosed
EP-1450874-A2 RESORPTION-CONTROLLED BONE IMPLANTS Rzeszutek, Kathy (CA) 2004-09-01 EP disclosed
US-6706260-B1 COMPRISED OF POLYMER HAVING SUCH AS 2-METHACRYLOYLOXYETHYL PHOSPHORYLCHOLINE UNITS; CLEANING AND NECROTIC TISSUE REMOVAL; NONIRRITATING; ACCELERATING REEPITHELIALIZATION AND GRANULATION NOF CORPORATION (JP) 2004-03-16 US disclosed
WO-2003045454-A2 RESORPTION-CONTROLLED BONE IMPLANTS RZESZUTEK KATHY (CA) 2003-06-05 WO disclosed
US-20030059434-A1 Methods and compositions for treating gastrointestinal tract mucin production associated disease conditions SYNTEX (U.S.A.) LLC 2003-03-27 US disclosed
EP-1095665-A1 WOUND-COVERING PREPARATION, WOUND-COVERING MATERIAL, AND METHOD OF WOUND HEALING NOF CORPORATION (JP) 2001-05-02 EP disclosed