SCHEMBL7161302

SCHEMBL7161302

COc1cc(-c2nc(CO)c[nH]2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
DYRK1A Q13627 2/20 0.43
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MPI P34949 1/20 0.38
GFER P55789 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 1/20 0.37
CHEK1 O14757 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
SCHEMBL7159598 0.89 KMO (0.45) KMOKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL7159559 0.81 ALDH1A1 (0.47) KDM4EALDH1A1GAAMPIGFER
Hydrochloric Acid SCHEMBL27415437 0.79 KMT2A (0.42) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL7422530 0.76 PDE4A (0.53)
SCHEMBL10556612 0.76 KDM4E (0.46) KDM4EALDH1A1GAAMPIGFER
SCHEMBL7157340 0.75 NOTUM (0.48)
SCHEMBL1613151 0.75 ALDH1A1 (0.47) KDM4EALDH1A1GAAMPIGFER
SCHEMBL5801973 0.75 HTR7 (0.44) PDGFRBPDGFRA
SCHEMBL10355347 0.74 DCUN1D1 (0.49) DYRK1AKDM4ETDP1CLK4
SCHEMBL27416160 0.74 POLB (0.50) GRM2KDM4EALDH1A1GAAMEN1

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-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 WO disclosed