SCHEMBL7047758

SCHEMBL7047758

CN(C(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NOX1 Q9Y5S8 1/20 0.49
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
GLA P06280 3/20 0.46
GAA P10253 3/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
CNR1 P21554 1/20 0.44
PTGES O14684 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7042639 0.92 HPGD (0.52) KDM4EHPGDSMN1; SMN2NOX1ALDH1A1
SCHEMBL6552039 0.79 CNR1 (0.47) HPGDSMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL5274289 0.78 KDM4E (0.58) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7046176 0.77 NPC1 (0.51) KDM4EHPGDSMN1; SMN2NOX1ALDH1A1
SCHEMBL7044567 0.76 CSNK2A2 (0.47)
SCHEMBL7046182 0.76 PIN1 (0.42) KDM4EHPGDSMN1; SMN2NOX1ALDH1A1
SCHEMBL11227523 0.75 KDM4E (0.51) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6018249 0.75 KDM4E (0.51) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4551697 0.75 NOX1 (0.72) KDM4EHPGDNOX1ALDH1A1KMT2A
SCHEMBL7267270 0.75 KDM4E (0.59) KDM4EHPGDSMN1; SMN2NOX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed