SCHEMBL29131813

SCHEMBL29131813

Cc1cc(-c2c(F)cccc2F)c(Cl)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.36
PDE10A Q9Y233 2/20 0.36
MAOB P27338 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HSD11B1 P28845 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
PTGES O14684 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 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
SCHEMBL30414249 1.00 PDE2A (0.36) PDE2APDE10AMAOBKMT2AMEN1
SCHEMBL29196121 0.84 HTR5A (0.34)
SCHEMBL30824457 0.84 HTR5A (0.34)
SCHEMBL30178120 0.81 MAOB (0.37) PDE2APDE10AMAOBKMT2AMEN1
SCHEMBL3937884 0.81 MAOB (0.37) PDE2APDE10AMAOBKMT2AMEN1
SCHEMBL28124206 0.78 NPC1 (0.42) PDE2APDE10AMAOBKMT2AMEN1
SCHEMBL29196120 0.75 USP8 (0.35) MAOBHPGDLMNASMN1; SMN2MAPT
SCHEMBL28223188 0.75 MAOB (0.42) MAOBKMT2AMEN1ADORA2AADORA1
SCHEMBL30954963 0.74 CCR1 (0.37) PDE2APDE10AKMT2APTGESKDM4E
SCHEMBL1754675 0.72 KDM4E (0.44) MAOBKMT2AMEN1HSD11B1ADORA2A

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
CN-117279509-A Bactericidal composition for agricultural and horticultural use 日本曹达株式会社 2023-12-22 CN disclosed