SCHEMBL27475223

SCHEMBL27475223

CCOC(=O)CC(=O)c1c(F)cc(Cl)c(F)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PPOX P50336 1/20 0.36
NLRP3 Q96P20 2/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KAT2B Q92831 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL9046771 0.90 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL5704377 0.82 GAA (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL5502158 0.81 MEN1 (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL9263418 0.79 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8740997 0.79 GPR17 (0.40) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1348394 0.79 GAA (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL1349347 0.79 MGAM (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL28757511 0.78 MEN1 (0.44) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL1241168 0.78 GAA (0.49) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL6212063 0.77 PPOX (0.35) KDM4EMEN1KMT2AALDH1A1HPGD

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-1143080-A Method for preparing 7-bicyclic substituted -3-quinone derivative BAYER AG (DE) 1997-02-19 CN disclosed