SCHEMBL21430697

SCHEMBL21430697

Cc1cc(C2CC3CCC2C3)oc(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A3 Q01959 4/20 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
SCHEMBL21430701 0.81 CA1 (0.39) CA1CA9JAK2JAK1TYK2
SCHEMBL9765298 0.68 CA1 (0.45) CA1CA9KMT2AKDM4EMAPT
SCHEMBL795901 0.67 JAK2 (0.42) JAK2JAK1TYK2JAK3KCNQ3
SCHEMBL1514753 0.67 NR1I2 (0.54) JAK2JAK1TYK2JAK3KCNQ3
SCHEMBL21430465 0.67 NR1I2 (0.54) JAK2JAK1TYK2JAK3KCNQ3
SCHEMBL21430201 0.67 NR1I2 (0.54) JAK2JAK1TYK2JAK3KCNQ3
SCHEMBL21430706 0.67 NR1I2 (0.54) JAK2JAK1TYK2JAK3KCNQ3
SCHEMBL21430174 0.67 NR1I2 (0.54) JAK2JAK1TYK2JAK3KCNQ3
SCHEMBL21085331 0.66 MEN1 (0.46) JAK2JAK1TYK2JAK3KCNQ3
SCHEMBL20358182 0.65 MEN1 (0.45) JAK2JAK1TYK2JAK3KCNQ3

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
WO-2019183793-A1 N-HYDROXYPYRIDONE COMPOUND AND USE THEREOF 华东理工大学 2019-10-03 WO disclosed