SCHEMBL3960842

SCHEMBL3960842

NNC(=NO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOS1 P29475 1/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL441773 0.81 NOS1 (0.40) CYP2C19TSHRNOS1MAOAMAOB
SCHEMBL2945465 0.81 NOS1 (0.40) CYP2C19TSHRNOS1MAOAMAOB
SCHEMBL7459183 0.80 TSHR (0.40) GAACYP2C19TSHRALDH1A1NPSR1
SCHEMBL134570 0.78 IDO1 (0.46) GAACYP2C19TSHRALDH1A1NPSR1
SCHEMBL3942966 0.78 IDO1 (0.46) GAACYP2C19TSHRALDH1A1NPSR1
SCHEMBL28806195 0.77 TSHR (0.50) GAACYP2C19TSHRALDH1A1NPSR1
SCHEMBL4959117 0.77 NOS1 (0.57) GAACYP2C19ALDH1A1NOS1MAOA
SCHEMBL18706885 0.76 ALDH1A1 (0.43) GAACYP2C19TSHRALDH1A1NPSR1
SCHEMBL3773521 0.76 GAA (0.44) GAACYP2C19TSHRALDH1A1NPSR1
SCHEMBL12116657 0.76 GAA (0.44) GAACYP2C19TSHRALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US claimed
JP-2007501701-A 2007-02-01 JP claimed
EP-1660232-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF Total France (FR) 2006-05-31 EP claimed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 WO claimed
US-8535515-B2 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE (FR) 2013-09-17 US disclosed
EP-1660232-B1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL RAFFINAGE MARKETING (FR) 2009-07-22 EP disclosed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US disclosed
EP-1660232-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF Total France (FR) 2006-05-31 EP disclosed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 WO disclosed