SCHEMBL7375720

SCHEMBL7375720

CCCc1cccc2c(=O)c(O)c(-c3cccc(OC)c3[N+](=O)[O-])oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ELANE P08246 3/20 0.43
CYP1A1 P04798 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP1B1 Q16678 4/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39
MAOA P21397 4/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FPR1 P21462 1/20 0.38
CTSG P08311 1/20 0.37

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
SCHEMBL12825712 0.77 STING1 (0.45) KDM4EMEN1ALDH1A1CYP3A4HPGD
SCHEMBL4035629 0.74 ALOX5 (0.48) KDM4EELANEABCG2ABCB1ALOX15
SCHEMBL7375725 0.73 CDK1 (0.44) KDM4EMEN1ALDH1A1CYP3A4HPGD
SCHEMBL13181024 0.73 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL8811366 0.70 KDM4E (0.58) KDM4EMEN1ALDH1A1CYP3A4HPGD
SCHEMBL13648770 0.68 BID (0.43) ELANEABCB1CTSGALOX5PTGS2
SCHEMBL7378571 0.68 ALDH1A1 (0.73) KDM4EMEN1ALDH1A1CYP3A4HPGD
SCHEMBL10966060 0.68 GLA (0.45) KDM4EHPGDABCG2
SCHEMBL12825530 0.68 STING1 (0.42) KDM4EMEN1ALDH1A1CYP3A4KMT2A
SCHEMBL7378573 0.68 ABCG2 (0.62) KDM4EMEN1ALDH1A1CYP3A4HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115718-A1 HYDROXYFLAVONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000017184-A1 HYDROXYFLAVONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-30 WO disclosed