SCHEMBL20570332

SCHEMBL20570332

O=C(O)c1cc(SCCc2ccc(Cl)cc2)c[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 9/20 0.52
DYRK1A Q13627 1/20 0.50
MCL1 Q07820 6/20 0.47
BCL2A1 Q16548 4/20 0.47
GPR84 Q9NQS5 1/20 0.43
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM3B Q7LBC6 1/20 0.41
HIF1AN Q9NWT6 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL20569899 0.83 DAO (0.75) DAOGPR84
SCHEMBL20569602 0.82 DAO (0.55) DAOGPR84
SCHEMBL20569629 0.75 DAO (0.71) DAO
SCHEMBL20570156 0.72 DAO (0.76) DAO
SCHEMBL20570125 0.71 DAO (0.61) DAO
SCHEMBL1929964 0.71 MCL1 (0.51) DAOMCL1BCL2A1GPR84KDM6B
SCHEMBL11164633 0.70 DYRK1A (0.64) DYRK1AMCL1MAPT
SCHEMBL20570574 0.70 DAO (0.79) DAO
SCHEMBL20570300 0.70 DAO (0.73) DAOGPR84
SCHEMBL14488039 0.69 DAO (1.00) DAO

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
WO-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed