SCHEMBL240228

SCHEMBL240228

O=C=NS(=O)(=O)N=C=O.O=C=Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
TSHR P16473 1/20 0.42
MIF P14174 1/20 0.41
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PSIP1 O75475 1/20 0.31
HTR6 P50406 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
Phenylisothiocyanate SCHEMBL9795217 0.86 MIF (0.63) CYP3A4TSHRMIFTDP1POLB
SCHEMBL9795547 0.84 CYP3A4 (0.65) CYP3A4TSHRMAPK1TDP1CYP1A2
Ethyne SCHEMBL27938328 0.84 CYP3A4 (0.50) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL5925 0.84
Benzene SCHEMBL11510532 0.84 MIF (0.55) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL1332539 0.84
SCHEMBL245090 0.84 MIF (0.55) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL19459346 0.84 MIF (0.55) CYP3A4TSHRMIFMAPK1TDP1
Sulfuric Acid SCHEMBL29023611 0.83 POLB (0.45) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL11769245 0.83 CYP3A4 (0.45) CYP3A4TSHRMIFMAPK1TDP1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859676-B2 Aqueous polyurethane resin dispersion and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2014-10-14 US disclosed
US-8481621-B2 Compositions comprising an amino triazine and ionomer or ionomer precursor TAYLOR MADE GOLF COMPANY, INC. (US) 2013-07-09 US disclosed
US-20120277031-A1 COMPOSITIONS COMPRISING AN AMINO TRIAZINE AND IONOMER OR IONOMER PRECURSOR TAYLOR MADE GOLF COMPANY, INC. 2012-11-01 US disclosed
US-8236880-B2 Compositions comprising an amino triazine and ionomer or ionomer precursor TAYLOR MADE GOLF COMPANY, INC. (US) 2012-08-07 US disclosed
EP-2402380-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND METHOD FOR PRODUCING SAME Ube Industries, Ltd. (JP) 2012-01-04 EP disclosed
US-20110313101-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND PROCESS FOR PREPARING THE SAME UBE INDUSTRIES, LTD. (JP) 2011-12-22 US disclosed
US-7915348-B2 Method for making ionomers using amine compounds comprising salt functional groups, ionomers made by the method and sports equipment comprising such ionomers TAYLOR MADE GOLF COMPANY, INC. (US) 2011-03-29 US disclosed
US-20090270201-A1 COMPOSITIONS COMPRISING AN AMINO TRIAZINE AND IONOMER OR IONOMER PRECURSOR TAYLOR MADE GOLF COMPANY, INC. 2009-10-29 US disclosed
US-20070232756-A1 Method for Making Ionomers Using Amine Compounds Comprising Salt Functional Groups, Ionomers made by the Method and Sports Equipment Comprising Such Ionomers TAYLOR MADE GOLF COMPANY, INC. 2007-10-04 US disclosed
US-7041725-B2 Modified polyurethanes, a process for their preparation, and electroplated or metallized molded articles produced therefrom BAYER AKTIENGESELLSCHAFT (DE) 2006-05-09 US disclosed
US-4187356-A Condensation of formaldehyde hydrate to form mixtures which, together with monomers capable of aminoplast formation are useful in the preparation of polyurethane foams BAYER AKTIENGESELLSCHAFT (DE) 1980-02-05 US disclosed
US-4186257-A POLYETHERS, POLYESTERS, POLYTHIOETHERS BAYER AKTIENGESELLSCHAFT (DE) 1980-01-29 US disclosed
US-4177332-A 1,1,1-Trifluoro-2-chloroethane as blowing agent for polyurethane foam BAYER AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed
US-4160754-A Stable polymer gels BAYER AKTIENGESELLSCHAFT (DE) 1979-07-10 US disclosed
US-4146688-A CHAIN EXTENSION BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed
US-4143003-A AS POLYMERIZATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4133943-A DIAMINOAROMATIC CARBOXYLIC OR SULFONIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-09 US disclosed
US-4122049-A Process for the production of polyurethane foam BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4108842-A Preparation of polyurethane ureas using as hardeners mixtures of water, amines, aldimines and ketimines BAYER AKTIENGESELLSCHAFT (DE) 1978-08-22 US disclosed
US-4067820-A PHOSPHOROUS CONTAINING BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed