SCHEMBL15468418

SCHEMBL15468418

O=C1C=C(Cc2ccccc2)CC(=O)SC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTPN1 P18031 1/20 0.37
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
SORT1 Q99523 1/20 0.36
CALM1 P0DP23 1/20 0.35
TYMP P19971 1/20 0.35
DAO P14920 1/20 0.33
TEK Q02763 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
IDH1 O75874 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4866616 0.71 CALM1 (0.44) MAOAMAOBPTPN1SORT1CALM1
SCHEMBL7518433 0.68 POLB (0.49) MAOAMAOBPTPN1SORT1CALM1
SCHEMBL6647917 0.68 POLB (0.53) MAOAMAOBPTPN1SORT1CALM1
SCHEMBL19102829 0.63 CALM1 (0.55) SORT1CALM1DAOALDH1A1LMNA
SCHEMBL8087900 0.62 TP53 (0.40) MAOAMAOBPTPN1SORT1CALM1
SCHEMBL981029 0.62 CALM1 (0.42) MAOAMAOBPTPN1SORT1CALM1
SCHEMBL6513885 0.62 CALM1 (0.42) MAOAMAOBPTPN1SORT1CALM1
SCHEMBL1028381 0.62 CALM1 (0.42) MAOAMAOBSORT1CALM1DAO
SCHEMBL5082503 0.62 ACHE (0.46) MAOAMAOBCALM1
SCHEMBL2515239 0.61 MAOA (0.69) MAOAMAOBPTPN1CALM1DAO

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-2561872-B1 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS INC (US) 2014-09-10 EP disclosed
EP-1824482-B1 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS INC (US) 2014-02-12 EP disclosed