SCHEMBL30585693

SCHEMBL30585693

CCOC(=O)CC(=O)c1c(C)cc(Cl)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NLRP3 Q96P20 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL2094172 1.00 MEN1 (0.47) MEN1KMT2ATAAR1ALDH1A1SMN1; SMN2
SCHEMBL7834361 0.90 MEN1 (0.41) MEN1KMT2ATAAR1ALDH1A1SMN1; SMN2
SCHEMBL14686134 0.87 MEN1 (0.40) MEN1KMT2ATAAR1ALDH1A1SMN1; SMN2
SCHEMBL2093753 0.84 L3MBTL1 (0.41) MEN1KMT2ATAAR1ALDH1A1KDM4E
SCHEMBL2129042 0.81 SMN1; SMN2 (0.51) MEN1KMT2ATAAR1ALDH1A1SMN1; SMN2
SCHEMBL29980368 0.76 PKM (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL2082473 0.76 PKM (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL2095153 0.75 MAPT (0.40) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL8693297 0.74 GAA (0.42) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30430258 0.74 ALDH1A1 (0.50) MEN1KMT2ATAAR1ALDH1A1SMN1; SMN2

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-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed