SCHEMBL19976756

SCHEMBL19976756

CC(C)(C)CN/C(=N/C(=O)c1ccc(N2CCOCC2)nc1)Nc1n[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 2/20 0.43
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDR P35968 1/20 0.41
KIT P10721 4/20 0.40
FGFR1 P11362 1/20 0.40
DDR2 Q16832 1/20 0.40
FLT3 P36888 2/20 0.40
MAPK1 P28482 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
IMPDH2 P12268 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
SCHEMBL19976845 0.91 MAPT (0.45) MAPTSTAT3SMN1; SMN2GSK3BDGAT1
SCHEMBL19976814 0.90 MAPT (0.47) MAPTSTAT3SMN1; SMN2GSK3BDGAT1
SCHEMBL19976816 0.85 MAPT (0.46) MAPTSTAT3SMN1; SMN2GSK3BDGAT1
SCHEMBL19976888 0.74 GSK3B (0.51) GSK3BFGFR1MAPK1HDAC6CYP1A2
SCHEMBL19976874 0.74 GSK3B (0.39) MAPTSMN1; SMN2GSK3BKCNH2KDR
SCHEMBL19976800 0.73 GSK3B (0.43) GSK3BKCNH2MAPK1HDAC6
SCHEMBL19976796 0.73 MAPT (0.43) MAPTSTAT3SMN1; SMN2DGAT1SOAT1
SCHEMBL19976763 0.70 GSK3B (0.52) GSK3BKITFLT3MAPK1HDAC6
SCHEMBL19976767 0.70 GSK3B (0.51) MAPTGSK3BMAPK1HDAC6CYP1A2
SCHEMBL19976812 0.69 GSK3B (0.51) GSK3BKITFGFR1FLT3MAPK1

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
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed