SCHEMBL19976845

SCHEMBL19976845

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GSK3B P49841 2/20 0.43
MAPK1 P28482 5/20 0.43
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDR P35968 1/20 0.40
KIT P10721 4/20 0.40
FGFR1 P11362 1/20 0.40
DDR2 Q16832 1/20 0.40
FLT3 P36888 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL19976756 0.91 MAPT (0.46) MAPTSTAT3SMN1; SMN2GSK3BMAPK1
SCHEMBL19976814 0.88 MAPT (0.47) MAPTSTAT3SMN1; SMN2GSK3BMAPK1
SCHEMBL19976816 0.85 MAPT (0.46) MAPTSTAT3SMN1; SMN2GSK3BMAPK1
SCHEMBL19976767 0.80 GSK3B (0.51) MAPTGSK3BMAPK1HDAC6
SCHEMBL16771465 0.79 MAPT (0.45) MAPTSTAT3SMN1; SMN2DGAT1SOAT1
SCHEMBL19976729 0.78 HDAC6 (0.49) GSK3BMAPK1HDAC6
SCHEMBL19976796 0.75 MAPT (0.43) MAPTSTAT3SMN1; SMN2MAPK1DGAT1
SCHEMBL19976854 0.74 GSK3B (0.42) MAPTGSK3BMAPK1KCNH2HDAC6
SCHEMBL19976745 0.71 GSK3B (0.45) GSK3BMAPK1FGFR1HDAC6
SCHEMBL17089509 0.70 HDAC10 (0.40) MAPTSTAT3SMN1; SMN2MAPK1ALDH1A1

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