SCHEMBL4788014

SCHEMBL4788014

CCOC(=O)c1c(C)nc(-c2cccc(OC)c2OC)n1C(C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 3/20 0.38
MDM2 Q00987 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
RAB9A P51151 2/20 0.36
HCRTR1 O43613 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4787716 0.82 SMN1; SMN2 (0.48) MAPTSMN1; SMN2LMNAMAPK1HSD17B10
SCHEMBL4909055 0.80 MEN1 (0.40) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL4788567 0.77 GAA (0.51) MAPTSMN1; SMN2LMNAPKMMAPK1
SCHEMBL4787840 0.74 MAPK1 (0.40) MAPTSMN1; SMN2MAPK1HSD17B10KDM4E
SCHEMBL4785279 0.74 TRPM8 (0.47) MAPTSMN1; SMN2LMNAMAPK1KDM4E
SCHEMBL29881000 0.66 MEN1 (0.47) MAPTSMN1; SMN2LMNAPKMMAPK1
SCHEMBL22440198 0.66 MEN1 (0.47) MAPTSMN1; SMN2LMNAPKMMAPK1
SCHEMBL27707738 0.66 NFE2L2 (0.49) MAPTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL7688461 0.66 KMT2A (0.65) MAPTSMN1; SMN2LMNAHSD17B10KDM4E
SCHEMBL4788025 0.65 PKM (0.44) MAPTSMN1; SMN2LMNAPKMHSD17B10

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