SCHEMBL457066

SCHEMBL457066

CCc1[c]c(-c2ccc(C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
NOTUM Q6P988 1/20 0.39
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
KIF11 P52732 6/20 0.38
GSK3B P49841 1/20 0.36
MAOB P27338 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
GFER P55789 1/20 0.34
DHODH Q02127 2/20 0.34
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL458020 0.79 KDM4E (0.43) KDM4ENPC1POLBRAB9AATM
SCHEMBL17599658 0.69 HEXA (0.41) KDM4ENPC1POLBRAB9AATM
SCHEMBL462512 0.67 NR1H4 (0.49) KDM4ENPC1POLBRAB9AATM
SCHEMBL17541744 0.67 RAB9A (0.59) KDM4ENPC1POLBRAB9AATM
SCHEMBL16364806 0.65 AOC3 (0.51) KDM4ENPC1POLBRAB9AATM
SCHEMBL1687449 0.64 MAOB (0.57) HEXAHEXBKIF11MAOB
SCHEMBL8990814 0.64 MAOB (0.61) KIF11MAOB
SCHEMBL4637026 0.64 NR1H2 (0.40) KDM4ENPC1POLBRAB9ANOTUM
SCHEMBL13410633 0.61 KIF11 (0.78) KIF11MAOB
SCHEMBL197238 0.61 KIF11 (0.78) KIF11MAOB

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-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed