SCHEMBL9905362

SCHEMBL9905362

CC(C)(C)NC(=NC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccc(O)cc2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.48
ACR P10323 3/20 0.41
P2RY14 Q15391 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALPL P05186 2/20 0.36
CA12 O43570 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35
DEGS1 O15121 1/20 0.35
HDAC1 Q13547 1/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL9905358 1.00 SNCA (0.48) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL18558123 0.92 SNCA (0.41) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL18558333 0.92 SNCA (0.41) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL18558030 0.91 GRM5 (0.41) SNCAACRP2RY14KDM4EMAPT
SCHEMBL18558516 0.90 HDAC3 (0.39) SNCAACRHDAC6ALPLCA12
SCHEMBL18558124 0.90 ALPL (0.41) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL9905271 0.90 SNCA (0.41) SNCAACRHDAC6KDM4EMAPT
SCHEMBL9905267 0.90 SNCA (0.41) SNCAACRHDAC6KDM4EMAPT
SCHEMBL17089717 0.90 SNCA (0.41) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL17088959 0.89 SNCA (0.44) SNCAACRHDAC6ALPLCA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648511-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed