SCHEMBL528875

SCHEMBL528875

O=C(O)c1cnc2ccc(-c3cccs3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.54
SRPK1 Q96SB4 1/20 0.50
RPS6KB2 Q9UBS0 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL5757744 0.89 MGAM (0.54) MGAMSRPK1RPS6KB2EGLN1PDGFRB
SCHEMBL4398475 0.80 MGAM (0.68) MGAMEGLN1PDGFRBPDGFRAKDM4E
SCHEMBL529465 0.77 MAP4K4 (0.63) MGAMPDGFRBPDGFRA
SCHEMBL10080493 0.76 SRPK1 (0.57) SRPK1RPS6KB2EGLN1KDM4EMAPT
SCHEMBL10465639 0.76 MGAM (0.70) MGAMPDGFRBPDGFRAKDM4EMAPT
SCHEMBL529524 0.76 MGAM (0.57) MGAMEGLN1PDGFRBPDGFRAMEN1
SCHEMBL12504970 0.75 MGAM (0.56) MGAMEGLN1CHEK1CYP1A2CYP2C19
SCHEMBL15774917 0.74 KDM4E (0.64) MGAMKDM4EMAPTSMN1; SMN2HPGD
SCHEMBL569420 0.74 CYP2E1 (0.50) SRPK1RPS6KB2EGLN1KDM4ECHEK1
SCHEMBL6237548 0.73 KDM4E (0.60) SRPK1RPS6KB2PDGFRBKDM4ERXFP1

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-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed