SCHEMBL5053646

SCHEMBL5053646

Clc1ccc(-c2nn(Cc3ccccc3)nc2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
CNR1 P21554 1/20 0.49
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL5047930 0.89 MEN1 (0.52) MEN1KMT2ANR1H2NR1H3LMNA
SCHEMBL5053629 0.75 CYP1A2 (0.47) MEN1KMT2ANR1H2NR1H3LMNA
SCHEMBL29009119 0.74 CYP19A1 (0.47) MEN1KMT2ANR1H2NR1H3LMNA
SCHEMBL5051897 0.74 CDC7 (0.60) MEN1KMT2ANR1H2NR1H3LMNA
SCHEMBL5049567 0.74 CDC7 (0.60) MEN1KMT2ANR1H2NR1H3LMNA
SCHEMBL5049603 0.74 MEN1 (0.46) MEN1KMT2ANR1H2NR1H3LMNA
SCHEMBL3599212 0.73 CYP1A2 (0.54) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL3605027 0.72 SLC2A2 (0.58) MEN1KMT2AKDM4EGAANPSR1
SCHEMBL9304768 0.71 CYP19A1 (0.58) MEN1KMT2ANR1H3LMNAL3MBTL1
SCHEMBL30928890 0.71 ALDH1A1 (0.65) MEN1KMT2ANR1H2NR1H3LMNA

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
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed