SCHEMBL31345646

SCHEMBL31345646

COC(=O)c1c(Cl)nc2ccccc2c1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 11/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
PLA2G2A P14555 1/20 0.48
NR4A2 P43354 1/20 0.46
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TACR3 P29371 1/20 0.44

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
SCHEMBL26617989 1.00 KDM4E (0.54) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL15491396 0.88 MEN1 (0.57) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL26617549 0.85 POLB (0.53) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL5381896 0.85 KDM4E (0.56) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL30681986 0.85 KDM4E (0.56) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL8577094 0.79 SMN1; SMN2 (0.61) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL2879866 0.77 POLB (0.68) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL2443270 0.77 MEN1 (0.71) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL38662586 0.77 MEN1 (0.71) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL23860957 0.76 NR4A2 (0.51) KDM4EMEN1KMT2APOLBMAPT

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