SCHEMBL7090261

SCHEMBL7090261

NC(=O)C(c1ccccc1)N(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPM8 Q7Z2W7 12/20 0.45
NR1I2 O75469 2/20 0.39
ALOX5 P09917 1/20 0.39
EPHX1 P07099 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
SOAT1 P35610 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
SCHEMBL7093909 0.91 TRPM8 (0.51) CYP1A2CYP2D6TRPM8NR1I2ALOX5
SCHEMBL7094118 0.85 TRPM8 (0.43) TRPM8NR1I2
SCHEMBL7093905 0.85 EPHX1 (0.47) ALDH1A1TRPM8NR1I2ALOX5EPHX1
SCHEMBL7093888 0.83 CPN1 (0.46) TDP1TRPM8NR1I2ALOX5EPHX1
SCHEMBL7092758 0.78 TRPM8 (0.41) ALDH1A1TRPM8NR1I2EPHX1
SCHEMBL7094981 0.76 NR3C2 (0.56) KDM4EALDH1A1MAPTTRPM8
SCHEMBL7093895 0.76 IDO1 (0.44) ALDH1A1TRPM8NR1I2EPHX1
SCHEMBL28275848 0.75 SRC (0.50) CYP1A2CYP2D6TDP1L3MBTL1TRPM8
SCHEMBL4566801 0.72 TRPM8 (0.53) ALDH1A1MAPTTRPM8NR1I2ALOX5
SCHEMBL11823197 0.72 ALDH1A1 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO claimed
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed