SCHEMBL6235314

SCHEMBL6235314

Cc1cc(C(=O)O)c2sccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NR4A1 P22736 1/20 0.42
RECQL P46063 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.42
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
DAO P14920 2/20 0.39
DHODH Q02127 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL6231017 0.80 XDH (0.45) MEN1KMT2APOLBMAPTNR4A1
SCHEMBL6230059 0.78 CDC25B (0.48) CSNK2A1POLBTDP1KDM4EXDH
SCHEMBL4257583 0.75 SLC22A12 (0.64) CSNK2A1XDHSLC22A12DAO
SCHEMBL3817245 0.75 MEN1 (0.39) MEN1KMT2APOLBMAPTNR4A1
SCHEMBL22607042 0.73 SELL (0.41) CSNK2A1MEN1KMT2APOLBMAPT
SCHEMBL18875994 0.73 CYP1A2 (0.32)
SCHEMBL15515690 0.73 MEN1 (0.43) MEN1KMT2APOLBMAPTNR4A1
SCHEMBL15790579 0.73 DHODH (0.44) CSNK2A1MEN1KMT2APOLBMAPT
SCHEMBL157640 0.72 SMN1; SMN2 (0.42) MEN1KMT2AMAPTKDM4E
SCHEMBL1476003 0.72 CYP2A6 (0.48) CSNK2A1NR4A1KDM4ECA12CA1

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