SCHEMBL8959508

SCHEMBL8959508

CCc1c[nH]c(=O)c(OC(=O)NC(C)C)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NLRP3 Q96P20 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
KDM5A P29375 1/20 0.34
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NCEH1 Q6PIU2 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31
SCN5A Q14524 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8967436 0.81 KDM4E (0.48) KDM4ESMN1; SMN2KMT2AMEN1NLRP3
SCHEMBL8959473 0.75 KMT2A (0.40) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL12111735 0.66 GABRA1 (0.42) KDM4ESMN1; SMN2KMT2ANLRP3ALDH1A1
Hydrochloric Acid SCHEMBL17594819 0.63 NOTUM (0.36) KDM4ESMN1; SMN2KMT2ATDP1
SCHEMBL23732711 0.63 PKM (0.41) SMN1; SMN2HTTNCEH1
SCHEMBL9656592 0.61 NCEH1 (0.48) KDM4ESMN1; SMN2KMT2AMEN1NLRP3
SCHEMBL7005859 0.59 GRIN2D (0.41) KDM4EALDH1A1HTTPOLB
SCHEMBL15621787 0.59 NCEH1 (0.36) SMN1; SMN2ALDH1A1HTTNCEH1CYP1A2
SCHEMBL9658235 0.58 NCEH1 (0.51) KDM4ESMN1; SMN2KMT2AMEN1NLRP3
SCHEMBL21180777 0.58 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2ALDH1A1GAAMAPT

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
EP-0693477-A1 Hydroxypyridonecarboxylic acid amides, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1996-01-24 EP disclosed