SCHEMBL30536588

SCHEMBL30536588

O=c1[nH]c2c(F)c(O)c(F)cc2o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.34
MCL1 Q07820 1/20 0.34
DAO P14920 1/20 0.33
DDO Q99489 1/20 0.33
NOS1 P29475 4/20 0.33
NOS3 P29474 3/20 0.33
NOS2 P35228 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OGT O15294 1/20 0.32
GRM5 P41594 5/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31

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
SCHEMBL30536613 0.75 GRIN2D (0.38) KMOMCL1NOS1NOS3NOS2
SCHEMBL18329421 0.72 MCL1 (0.49) KMOMCL1DAONOS1NOS3
SCHEMBL29670890 0.72 MCL1 (0.49) KMOMCL1DAONOS1NOS3
SCHEMBL30567353 0.72 DAO (0.41) KMOMCL1DAONOS1NOS3
SCHEMBL18107837 0.69 GRM5 (0.37) KMOMCL1NOS1NOS3NOS2
SCHEMBL18188217 0.69 KMO (0.35) KMOMCL1NOS1NOS3NOS2
SCHEMBL21066433 0.69 NOS1 (0.44) KMOMCL1NOS1NOS3NOS2
SCHEMBL5541365 0.69 KMO (0.35) KMOMCL1NOS1NOS3NOS2
SCHEMBL5541374 0.69 NOS1 (0.49) KMOMCL1NOS1NOS3NOS2
SCHEMBL9385343 0.69 NOS1 (0.38) KMOMCL1NOS1NOS3NOS2

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-116600801-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-08-15 CN disclosed