SCHEMBL31345641

SCHEMBL31345641

COC(=O)c1cc2c(nc1O)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 10/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 6/20 0.50
NPC1 O15118 5/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KMT2A Q03164 3/20 0.45
PPARG P37231 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
SLC9A1 P19634 1/20 0.45
ACHE P22303 4/20 0.43
LMNA P02545 5/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL26617810 1.00 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL26617915 0.98 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL26617630 0.98 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL31345629 0.98 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL26617473 0.97 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL10472947 0.84 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL2899565 0.84 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9871030 0.83 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL927885 0.83 SLC9A1 (0.60) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL2899414 0.82 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT

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-119585247-A Bicyclic heterocyclic amide inhibitors of nav1.8 for the treatment of pain 赛特温治疗公司 2025-03-07 CN disclosed