SCHEMBL9920729

SCHEMBL9920729

C=C(/N=C(\Nc1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1)NC(C)(C)C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
SMO Q99835 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
MAOB P27338 4/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
PPARA Q07869 3/20 0.37
PTGES O14684 1/20 0.37
PPARD Q03181 2/20 0.37
PPARG P37231 1/20 0.37
HDAC1 Q13547 1/20 0.37
ERAP1 Q9NZ08 1/20 0.36
FFAR1 O14842 1/20 0.36
SMPD1 P17405 1/20 0.36
NR4A2 P43354 1/20 0.36
AR P10275 1/20 0.36
GPR34 Q9UPC5 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
SCHEMBL9905738 0.90 MRGPRX4 (0.42) MAPK14SMOMRGPRX4SLC6A5MAOB
SCHEMBL9905739 0.90 MRGPRX4 (0.42) MAPK14SMOMRGPRX4SLC6A5MAOB
SCHEMBL9905736 0.90 MRGPRX4 (0.42) MAPK14SMOMRGPRX4SLC6A5MAOB
SCHEMBL9905780 0.83 BCL2L1 (0.43) MAPK14SMOMRGPRX4MAOBBCL2L1
SCHEMBL9905383 0.83 BCL2L1 (0.43) MAPK14SMOMRGPRX4MAOBBCL2L1
SCHEMBL9905384 0.83 BCL2L1 (0.43) MAPK14SMOMRGPRX4MAOBBCL2L1
SCHEMBL17088956 0.81 ERAP1 (0.44) MAPK14SMOMAOBMCL1PTGES
SCHEMBL9905250 0.78 PPIA (0.40) MRGPRX4PPARDPPARG
SCHEMBL9905766 0.78 PPIA (0.40) MRGPRX4PPARDPPARG
SCHEMBL9905253 0.78 PPIA (0.40) MRGPRX4PPARDPPARG

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-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed