SCHEMBL98528

SCHEMBL98528

COc1ccc(-c2ccccc2)c2c1CCC(=O)N2.COc1ccc(Br)c2c1CCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP19A1 P11511 3/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ANPEP P15144 2/20 0.35
IL1RN P18510 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
YAP1 P46937 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL98063 0.92 KDM4E (0.41) KDM4EHDAC1HDAC6CYP19A1CYP11B1
SCHEMBL2963795 0.87 KDM4E (0.51) KDM4EHDAC1HDAC6CYP19A1ALDH1A1
SCHEMBL7097075 0.75 KDM4E (0.50) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL10572726 0.71 KDM4E (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL98389 0.71 KDM4E (0.46) KDM4ECYP19A1ALDH1A1HPGDGLA
SCHEMBL10567911 0.71 KDM4E (0.37) KDM4EALDH1A1CYP1A2GLAGAA
SCHEMBL8919340 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17543765 0.70 KDM4E (0.45) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11325430 0.69 PKM (0.43) PDE4DL3MBTL1MEN1KMT2ACRBN
SCHEMBL97226 0.68 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA

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-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed