SCHEMBL17599658

SCHEMBL17599658

CCc1nc(-c2ccc(C(F)(F)F)cc2)[c][nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
KIF11 P52732 6/20 0.38
GFER P55789 1/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
PDE2A O00408 4/20 0.36
LTA4H P09960 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL457221 0.78 SMN1; SMN2 (0.42) HEXAHEXBRAB9AKDM4ENPC1
SCHEMBL17599659 0.70 HEXA (0.42) HEXAHEXBKIF11GFERRAB9A
SCHEMBL457066 0.69 KDM4E (0.40) HEXAHEXBKIF11GFERRAB9A
SCHEMBL25833757 0.67 SCN2A (0.55)
SCHEMBL455369 0.66 KIF11 (0.42) HEXAHEXBKIF11KDM4E
SCHEMBL456853 0.66 HEXA (0.38) HEXAHEXBKIF11LTA4HCTSS
SCHEMBL28827850 0.65 HEXA (0.46) HEXAHEXBKIF11CTSSCTSK
SCHEMBL9145018 0.65 RAB9A (0.48) HEXAHEXBKIF11GFERRAB9A
SCHEMBL1687449 0.64 MAOB (0.57) HEXAHEXBKIF11
SCHEMBL17541744 0.64 RAB9A (0.59) HEXAHEXBKIF11GFERRAB9A

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
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed