SCHEMBL9251182

SCHEMBL9251182

Cn1nc(-c2c(F)cccc2Cl)nc1-c1cccc(C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
PTGES O14684 5/20 0.37
PTGS1 P23219 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B2 P37059 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPK14 Q16539 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAT2A P31153 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8875393 0.83 HSD11B1 (0.36) NR1H2NR1H3PTGESPTGS1KDM4E
SCHEMBL8876286 0.82 HSD11B1 (0.35) NR1H2NR1H3PTGESPTGS1KDM4E
SCHEMBL4611925 0.82 PTGES (0.46) MAPTNR1H2NR1H3PTGESPTGS1
SCHEMBL5727209 0.80 MAPT (0.42) MAPTNR1H2NR1H3PTGESPTGS1
SCHEMBL8303382 0.79 HSD17B2 (0.34) NR1H2NR1H3PTGESNPC1RAB9A
SCHEMBL8304815 0.78 NR1H2 (0.43) NR1H2NR1H3PTGESPTGS1NPC1
SCHEMBL5727286 0.77 PTGES (0.42) MAPTPTGESPTGS1KDM4ENPSR1
SCHEMBL8942725 0.77 NR1H2 (0.49) MAPTNR1H2NR1H3PTGESNPC1
SCHEMBL8303453 0.77 HSD17B2 (0.44) MAPTNR1H2NR1H3PTGESNPC1
SCHEMBL5727182 0.75 PTGES (0.41) MAPTPTGESPTGS1KDM4ENPSR1

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
JP-7076577-A None JP disclosed
JP-H0776577-A DIPHENYLTRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE KUMIAI CHEM IND CO LTD 1995-03-20 JP disclosed