SCHEMBL3886687

SCHEMBL3886687

O=Nc1ccccc1N(N=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
ALOX15 P16050 1/20 0.61
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
EIF4H Q15056 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HTT P42858 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
SCHEMBL1031002 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15USP2POLBNPSR1
SCHEMBL28361708 0.78 ALDH1A1 (0.53) ALDH1A1ALOX15USP2
SCHEMBL80329 0.78 ALDH1A1 (1.00) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL3916108 0.78 ALDH1A1 (1.00) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL28346018 0.78 ALDH1A1 (0.64) ALDH1A1ALOX15USP2POLBNPSR1
SCHEMBL11506192 0.76 ALDH1A1 (0.61) ALDH1A1ALOX15SIGMAR1LRRK2MEN1
SCHEMBL28168284 0.76 ALDH1A1 (0.40) ALDH1A1ALOX15USP2POLBNPSR1
SCHEMBL7191619 0.76 ALDH1A1 (0.61) ALDH1A1ALOX15USP2POLBEIF4H
Hydrochloric Acid SCHEMBL10866136 0.75 ALDH1A1 (0.94) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL11271014 0.75 ALDH1A1 (0.94) ALDH1A1ALOX15USP2POLBEIF4H

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
JP-10168450-A None JP disclosed
CN-118125953-A Method for reducing activity of polythiol compound 益丰新材料股份有限公司 2024-06-04 CN disclosed
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
JP-H10168450-A LIGHT STABILIZER FOR COLORANT ASAHI DENKA KOGYO KK 1998-06-23 JP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed