SCHEMBL19976816

SCHEMBL19976816

O=C(/N=C(\Nc1n[nH]c2cc(C(F)(F)F)ccc12)NC1CCC1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGDS O60760 1/20 0.44
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
GSK3B P49841 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDR P35968 1/20 0.39
KMT2A Q03164 1/20 0.39
FGFR1 P11362 1/20 0.39
DDR2 Q16832 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.38
KIT P10721 2/20 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
SCHEMBL19976814 0.87 MAPT (0.47) MAPTSTAT3SMN1; SMN2DGAT1SOAT1
SCHEMBL19976756 0.85 MAPT (0.46) MAPTSTAT3SMN1; SMN2DGAT1SOAT1
SCHEMBL19976845 0.85 MAPT (0.45) MAPTSTAT3SMN1; SMN2DGAT1SOAT1
SCHEMBL16771462 0.79 HPGDS (0.44) MAPTSTAT3SMN1; SMN2HPGDSDGAT1
SCHEMBL19976813 0.78 HDAC6 (0.47) KCNH2GSK3BHDAC6MAPK1KIT
SCHEMBL19976752 0.77 HDAC6 (0.49) GSK3BHDAC6MAPK1
SCHEMBL19976796 0.70 MAPT (0.43) MAPTSTAT3SMN1; SMN2DGAT1SOAT1
SCHEMBL19976769 0.67 GSK3B (0.51) GSK3BHDAC6MAPK1
SCHEMBL9920699 0.66 TRPV1 (0.40) SMN1; SMN2HDAC6KMT2A
SCHEMBL25429317 0.66 MAPT (0.53) MAPTSTAT3SMN1; SMN2DGAT1SOAT1

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