SCHEMBL11090367

SCHEMBL11090367

O=C(O)c1[nH]c2cscc2c(=O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.39
KDM4E B2RXH2 5/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
PKM P14618 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
FOLH1 Q04609 1/20 0.30

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
SCHEMBL9425166 0.72 GPR35 (0.60) GPR35
SCHEMBL3979968 0.72 KDM4E (0.45) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL11090377 0.68 DAO (0.41) GPR35KDM4ETDP1ALDH1A1HPGD
SCHEMBL5879665 0.66 KDM4E (0.34) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7698120 0.65 MEN1 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL87871 0.63 KDM4E (0.65) KDM4ETDP1ALDH1A1HPGDMEN1
SCHEMBL8847161 0.62 JAK2 (0.37) GPR35KDM4ETDP1ALDH1A1HPGD
SCHEMBL27948924 0.62 GPR35 (0.66) GPR35PKMCYP1A2CYP2C9
SCHEMBL30401730 0.60 PARP1 (0.53) GPR35KDM4ETDP1ALDH1A1HPGD
SCHEMBL2539403 0.59 KDM4E (0.58) KDM4EALDH1A1HPGDMEN1KMT2A

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-0126970-A2 Anxiolytic and anti-depressant thienopyridine derivatives BEECHAM GROUP PLC (GB) 1984-12-05 EP disclosed