SCHEMBL4787840

SCHEMBL4787840

CCOC(=O)c1c(C)nc(-c2cc(Cl)ccc2Cl)n1C(C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GABRA2 P47869 5/20 0.39
GABRB2 P47870 5/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
PDE2A O00408 1/20 0.38

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
SCHEMBL4909055 0.89 MEN1 (0.40) MAPK1MAPTKDM4ESMN1; SMN2SLC5A1
SCHEMBL4785279 0.83 TRPM8 (0.47) MAPK1MAPTKDM4ESMN1; SMN2NPSR1
SCHEMBL4787716 0.80 SMN1; SMN2 (0.48) MAPK1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL4788014 0.74 MAPT (0.41) MAPK1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL4788567 0.74 GAA (0.51) MAPK1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL14740062 0.67 CYP1A2 (0.65) MAPK1KDM4ESMN1; SMN2NPSR1RAB9A
SCHEMBL14739667 0.67 CYP1A2 (0.52) MAPK1MAPTKDM4ESMN1; SMN2GABRA2
SCHEMBL25234831 0.67 CYP2C9 (0.54) MAPTKDM4ESMN1; SMN2GAANPSR1
SCHEMBL28746461 0.67 MAPK1 (0.53) MAPK1MAPTKDM4ESMN1; SMN2NPSR1
SCHEMBL11225504 0.67 CYP4F2 (0.67) MAPK1MAPTKDM4ETSHRALOX15

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-2008111794-A1 4-METHYLIMIDAZOL-5-YLCARBONYLGUANIDINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE ISCHEMIC HEART DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-09-18 WO disclosed