SCHEMBL4744491

SCHEMBL4744491

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PAX8 Q06710 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP9 P14780 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC9A1 P19634 8/20 0.37
PLAU P00749 2/20 0.37
SLC9A2 Q9UBY0 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL11191356 0.79
SCHEMBL5726855 0.72
SCHEMBL1667866 0.72
SCHEMBL4353332 0.71
Hydrochloric Acid SCHEMBL947740 0.71 KDM4E (0.47) GDALMNATSHRKDM4EPAX8
SCHEMBL11507885 0.71
SCHEMBL2824171 0.70 GAA (0.53) GDAKDM4EALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL11084718 0.69 GDA (0.39) GDALMNATSHRKDM4EPAX8
SCHEMBL4744488 0.69 GDA (0.44) GDALMNATSHRKDM4EPAX8
SCHEMBL17264852 0.68 SMN1; SMN2 (0.40) GDALMNATSHRKDM4EPAX8

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