SCHEMBL4909055

SCHEMBL4909055

CCOC(=O)c1c(C)nc(-c2cc(Cl)ccc2OC)n1C(C)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
NR1I2 O75469 1/20 0.39
HTT P42858 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
MAPT P10636 2/20 0.38
CTSA P10619 1/20 0.38
MDM2 Q00987 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4787840 0.89 MAPK1 (0.40) KMT2AMAPK1SMN1; SMN2POLBTSHR
SCHEMBL4788014 0.80 MAPT (0.41) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4785279 0.80 TRPM8 (0.47) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4787716 0.77 SMN1; SMN2 (0.48) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4788567 0.76 GAA (0.51) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL5377655 0.71 GABRA2 (0.47) MEN1KMT2AMAPK1HTTCTSA
SCHEMBL29654067 0.70 JAK2 (0.51) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL931470 0.70 JAK2 (0.51) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL15920391 0.69 TP53 (0.44) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL4729820 0.69 LMNA (0.61) MEN1KMT2AMAPK1ALDH1A1TSHR

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