SCHEMBL3917092

SCHEMBL3917092

N=C(N)C(CC=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
EPHX1 P07099 2/20 0.44
CYP2D6 P10635 2/20 0.38
PKM P14618 2/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
SLC6A3 Q01959 3/20 0.36
DRD3 P35462 2/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
EDNRB P24530 1/20 0.36
MAPK1 P28482 1/20 0.36
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
DRD2 P14416 1/20 0.36
BCAT2 O15382 1/20 0.36
F2 P00734 1/20 0.34

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
SCHEMBL6711147 0.83 EPHX1 (0.59) CYP2C19EPHX1CYP2D6PKMCYP1A2
SCHEMBL3308217 0.79 CYP2C19 (0.69) CYP2C19EPHX1CYP2D6CYP1A2SMN1; SMN2
SCHEMBL3109832 0.76 EPHX1 (0.46) CYP2C19EPHX1CYP2D6PKMCYP1A2
SCHEMBL15019711 0.76 GABBR2 (0.52) CYP2C19EPHX1CYP2D6PKMCYP1A2
SCHEMBL14673618 0.76 CYP2C19 (0.50) CYP2C19EPHX1CYP2D6LMNAMAPK1
SCHEMBL7613792 0.75 LMNA (0.48) EPHX1SMN1; SMN2LMNA
SCHEMBL5050093 0.74 EPHX1 (0.49) CYP2C19EPHX1CYP2D6PKMCYP1A2
SCHEMBL5377464 0.74 L3MBTL1 (0.52) CYP2C19CYP2D6SMN1; SMN2NPSR1LMNA
SCHEMBL2318462 0.74 CYP2C19 (0.49) CYP2C19EPHX1CYP2D6PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL7613859 0.73 LMNA (0.47) EPHX1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531635-A Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-yl sulfonamides or salts thereof and their use for enhancing stress tolerance in plants 拜耳作物科学股份公司 2018-01-02 CN disclosed
EP-1885855-A4 CYTOKINE RECEPTOR MODULATORS AND USES THEREOF VALORISATION HSJ SOC EN COMMAN (CA) 2009-03-04 EP disclosed
EP-1751175-A4 INTERLEUKIN-1 RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS OF TREATMENT VALORISATION RECH SOC EN COMMA (CA) 2008-12-17 EP disclosed
EP-1885855-A2 CYTOKINE RECEPTOR MODULATORS AND USES THEREOF VALORISATION HSJ, Société en Commandite (CA) 2008-02-13 EP disclosed
EP-1751175-A1 INTERLEUKIN-1 RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS OF TREATMENT Valorisation-Recherche, Société en Commandite (CA) 2007-02-14 EP disclosed
WO-2007004060-A2 CYTOKINE RECEPTOR MODULATORS AND USES THEREOF VALORISATION HSJ, SOCIETE EN COMMANDITE (CA) 2007-01-11 WO disclosed
WO-2005105830-A1 INTERLEUKIN-1 RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS OF TREATMENT VALORISATION-RECHERCHE, SOCIETE EN COMMANDITE (CA) 2005-11-10 WO disclosed