SCHEMBL245090

SCHEMBL245090

O=C=Nc1ccccc1.O=C=Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.55
CYP3A4 P08684 3/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TRPA1 O75762 2/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP1A2 P05177 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
HTR3B O95264 1/20 0.36
PLAU P00749 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
MAPT P10636 4/20 0.35

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
Benzene SCHEMBL11510532 1.00 MIF (0.55) MIFCYP3A4TSHRALDH1A1MAPK1
SCHEMBL5925 1.00
SCHEMBL1332539 1.00
SCHEMBL19459346 1.00 MIF (0.55) MIFCYP3A4TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL10809249 0.97 MIF (0.52) MIFCYP3A4TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL10809256 0.97 MIF (0.52) MIFCYP3A4TSHRALDH1A1MAPK1
Hydrogen Sulfide SCHEMBL2017797 0.97 MIF (0.52) MIFCYP3A4TSHRALDH1A1MAPK1
Water SCHEMBL2017190 0.97 MIF (0.52) MIFCYP3A4TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL10918138 0.97 MIF (0.52) MIFCYP3A4TSHRALDH1A1MAPK1
Methane SCHEMBL7027432 0.97 MIF (0.52) MIFCYP3A4TSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369442-B1 Compositions comprising aqueous dispersions of crosslinkable polyurethanes having (per)fluoropolyether structures SOLVAY SOLEXIS SPA (IT) 2011-08-24 EP claimed
US-4535110-A UNSATURATED POLYESTER SHEET MOLDING COMPOUND WITH A MAGNESIUM OR CALCIUM HYDROXIDE OR OXIDE AND POLYISOCYANATE THICKENER SYSTEM THE BUDD COMPANY (US) 1985-08-13 US claimed
US-3984493-A NON-CRYSTALLINE, ELASTICITY KAO SOAP CO., LTD. (JA) 1976-10-05 US claimed
US-9006481-B2 Process and apparatus for preparing isocyanates BASF SE (DE) 2015-04-14 US disclosed
US-8957245-B2 Method for producing isocyanate BASF SE (DE) 2015-02-17 US disclosed
US-8765996-B2 Process for preparing isocyanates BASF SE (DE) 2014-07-01 US disclosed
EP-1618156-B1 CATHODIC CORROSION PROTECTION POWDER COATING COMPOSITION AND METHOD COATINGS FOREIGN IP CO LLC (US) 2013-11-27 EP disclosed
US-8558026-B2 Method for producing isocyanates BASF SE (DE) 2013-10-15 US disclosed
US-20130150620-A1 METHOD FOR PRODUCING ISOCYANATE OLBERT GERHARD (DE) 2013-06-13 US disclosed
US-20120004446-A1 PROCESS AND APPARATUS FOR PREPARING ISOCYANATES BASF SE (DE) 2012-01-05 US disclosed
US-20100305356-A1 METHOD FOR PRODUCING ISOCYANATES BASF SE (DE) 2010-12-02 US disclosed
EP-0588318-B1 Cathodic protection against corrosion NIPPON PAINT CO LTD (JP) 1995-12-06 EP disclosed
EP-0588318-A1 Cathodic protection against corrosion NIPPON PAINT CO., LTD. (JP) 1994-03-23 EP disclosed
WO-1992013575-A1 ORTHOPEDIC BANDAGING MATERIAL WITH REDUCED STICKINESS AND SLIPPAGE LOHMANN GMBH & CO. KG (DE) 1992-08-20 WO disclosed
EP-0201819-B1 BICYCLIC AMIDE ACETAL/POLYAMINE/POLYISOCYANATE POLYMERS Ashland Oil, Inc. (US) 1990-01-31 EP disclosed
EP-0201819-A1 Bicyclic amide acetal/polyamine/polyisocyanate polymers Ashland Oil, Inc. (US) 1986-11-20 EP disclosed
US-4582890-A IMPACT STRENGTH, FAST POLYMERIZATION RATES ASHLAND OIL, INC. (US) 1986-04-15 US disclosed
US-4359359-A FOR MOUNTING MEMBRANES IN DIALYSIS EQUIPMENT,AROMATIC DIISOCYANATE WITH TRIMETHYLOLPROPANE AND CASTOR OIL AKZO N.V. (NL) 1982-11-16 US disclosed
US-4272377-A CASTOR OIL, TRIMETHYLOLPROPANE, CROSSLINKING AKZO N.V. (NL) 1981-06-09 US disclosed
US-3984493-A NON-CRYSTALLINE, ELASTICITY KAO SOAP CO., LTD. (JA) 1976-10-05 US disclosed