SCHEMBL20569289

SCHEMBL20569289

O=c1[nH]cc(SCCc2ccc(Cl)cc2)c2ccsc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.42
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NEK1 Q96PY6 4/20 0.38
GPR84 Q9NQS5 1/20 0.38
PTPRG P23470 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
IDO1 P14902 2/20 0.35
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20570300 0.69 DAO (0.73) DAOGPR84
SCHEMBL20569602 0.68 DAO (0.55) DAOGPR84CDC7DBF4
SCHEMBL20569899 0.66 DAO (0.75) DAOGPR84
SCHEMBL5241735 0.65 PARP1 (0.42) NEK1PARP1MEN1KMT2A
SCHEMBL20570332 0.63 DAO (0.52) DAOGPR84MAPT
SCHEMBL20569900 0.62 GPR84 (0.43) DAOL3MBTL1GPR84CDC7DBF4
SCHEMBL27670847 0.61 MAOB (0.46) RAB9AGPR84CDC7DBF4IDO1
SCHEMBL24214461 0.60 DAO (1.00) DAO
SCHEMBL29196577 0.60 KDM4E (0.53) PARP1KMT2A
SCHEMBL20569629 0.59 DAO (0.71) 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