SCHEMBL6233980

SCHEMBL6233980

O=C(O)c1ccc(O)c2ccsc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.45
SELP P16109 1/20 0.45
GPR35 Q9HC97 1/20 0.41
LCK P06239 1/20 0.41
MEN1 O00255 2/20 0.40
KDR P35968 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE4A P27815 1/20 0.40
BLVRB P30043 1/20 0.40
HTT P42858 1/20 0.40
XDH P47989 2/20 0.40
SLC22A12 Q96S37 2/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
PTGS2 P35354 2/20 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
SCHEMBL11659290 0.86 CYP1A2 (0.42) SELLSELPGPR35MEN1KMT2A
SCHEMBL6230806 0.79 MEN1 (0.43) GPR35MEN1KMT2AALDH1A1KDM4E
SCHEMBL3815597 0.79 CSNK2A1 (0.38) GPR35MEN1KMT2AXDHSLC22A12
SCHEMBL11661739 0.77 IDO1 (0.39) GPR35TSHRHPGDMAPTTHRB
SCHEMBL6232967 0.75 CDC25B (0.49) MEN1KMT2AHTTCA1CA2
SCHEMBL15390322 0.75 PTPN2 (0.37) GPR35MEN1KMT2AXDHSLC22A12
SCHEMBL6232575 0.72 NR4A1 (0.46) CA1CA2ALDH1A1CA12CA7
SCHEMBL5621833 0.72 BLM (0.34) GPR35KMT2ATSHRKDM6BL3MBTL1
SCHEMBL16048730 0.70 CA1 (0.46) MEN1KMT2AHTTCA1CA2
SCHEMBL16048732 0.70 CA1 (0.46) MEN1KMT2AHTTCA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945450-B1 FUSED HETEROCYCLIC BENZENECARBOXYLIC ACID AMIDE DERIVATIVES AND PGD2 ANTAGONISTS CONTAINING THE SAME SHIONOGI & CO (JP) 2005-05-11 EP disclosed
US-6069166-A INHIBITORY ACTIVITY AGAINST INFILTRATION OF EOSIONOPHILS, AND ARE USEFUL AS DRUGS FOR TREATING NASAL BLOCKAGE SHIONOGI & CO., LTD. (JP) 2000-05-30 US disclosed
EP-0945450-A1 FUSED HETEROCYCLIC BENZENECARBOXYLIC ACID AMIDE DERIVATIVES AND PGD2 ANTAGONISTS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1999-09-29 EP disclosed