SCHEMBL4753665

SCHEMBL4753665

CCN(CC)C(=O)n1nc(-c2ccccc2)c2nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LIPG Q9Y5X9 2/20 0.34
LPL P06858 1/20 0.34
CYP1A2 P05177 3/20 0.34
USP2 O75604 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 2/20 0.33

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
SCHEMBL4164714 0.92 ALDH1A1 (0.37) MEN1KMT2ALIPGLPLCYP1A2
SCHEMBL1689355 0.76 DHFR (0.41) MEN1KMT2ACYP1A2USP2CASP1
SCHEMBL4172454 0.76 LPL (0.40) MEN1KMT2ALIPGLPLCYP1A2
SCHEMBL2116610 0.75 DHFR (0.43) MEN1KMT2ACYP1A2USP2CASP1
SCHEMBL4786879 0.74 MAPT (0.41) MEN1KMT2ALIPGLPLCYP1A2
SCHEMBL4166791 0.72 USP2 (0.41) MEN1KMT2ACYP1A2USP2CASP1
SCHEMBL1753378 0.72 AKR1B10 (0.42) MEN1KMT2ALMNAALOX15KDM4E
SCHEMBL1753132 0.71 MAPT (0.40) MEN1KMT2ALIPGLPLCYP1A2
SCHEMBL1689195 0.70 DHFR (0.42) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL1753381 0.70 MAPT (0.65) KMT2AALDH1A1LMNAALOX15MAPT

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-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP disclosed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO disclosed