SCHEMBL4744488

SCHEMBL4744488

Cc1nc[nH]c1C(=O)NC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.44
GAA P10253 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
PAX8 Q06710 1/20 0.36
MMP9 P14780 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
XDH P47989 2/20 0.35
P2RX7 Q99572 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL2824171 0.79 GAA (0.53) GDAGAATDP1L3MBTL1MAPT
SCHEMBL11191356 0.76
SCHEMBL8545062 0.72 SMN1; SMN2 (0.43) GDAGAATDP1L3MBTL1MAPT
SCHEMBL18538515 0.71 ALDH1A1 (0.41) GDAGAATDP1L3MBTL1MAPT
SCHEMBL5726855 0.70
SCHEMBL1667866 0.70
SCHEMBL13847664 0.70 NPSR1 (0.45) GAATDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL4605287 0.69 KDM4E (0.45) GDAGAAL3MBTL1MAPTSMN1; SMN2
SCHEMBL4744491 0.69 GDA (0.43) GDAGAATDP1L3MBTL1SMN1; SMN2
SCHEMBL21191005 0.69 ALDH1A1 (0.39) GDAGAATDP1L3MBTL1MAPT

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 3 patents. 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 claimed
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
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