SCHEMBL27633657

SCHEMBL27633657

O=C(O)c1c(C(F)(F)F)nnn1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
PTGES O14684 4/20 0.43
PTGER4 P35408 4/20 0.41
CASR P41180 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
GAA P10253 2/20 0.38
GPR139 Q6DWJ6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 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
SCHEMBL939419 0.86 HPGD (0.51) RAB9APTGER4HPGDAKR1C3AKR1C2
SCHEMBL27783675 0.78 SCD (0.53)
SCHEMBL27654437 0.78 HPGD (0.49) MAPTNPC1RAB9AGRNSORT1
SCHEMBL27830493 0.76 GAA (0.48) PTGER4HPGDAKR1C3AKR1C2GAA
SCHEMBL27830557 0.74 PTGER4 (0.53) PTGESPTGER4AKR1C3
SCHEMBL27958380 0.73 GRN (0.42) MAPTGRNSORT1CASRHPGD
SCHEMBL27849054 0.72 CYP1A2 (0.56) PTGER4HPGDTP53AKR1C3AKR1C2
SCHEMBL27830568 0.72 POLB (0.48) MAPTGRNSORT1HPGDTP53
SCHEMBL27848902 0.71 AKR1C3 (0.55) PTGER4AKR1C3AKR1C2L3MBTL1
SCHEMBL4785326 0.70 CYP19A1 (0.57) PTGER4HPGDAKR1C3AKR1C2L3MBTL1

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
CN-100558713-C Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2009-11-11 CN disclosed
CN-1829698-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN disclosed