SCHEMBL6232967

SCHEMBL6232967

COc1ccc(C(=O)O)c2sccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.49
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
PLK1 P53350 1/20 0.41
ECE1 P42892 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NR4A1 P22736 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3963199 0.87 MAPT (0.47) CDC25BMAPTTDP1ALDH1A1KDM4E
SCHEMBL11659290 0.80 CYP1A2 (0.42) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6235702 0.79 ALDH1A1 (0.50) CDC25BMAPTALDH1A1KDM4EHPGD
SCHEMBL3151189 0.78 MAPT (0.51) MAPTALDH1A1ECE1KMT2AMEN1
SCHEMBL6230806 0.77 MEN1 (0.43) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6235442 0.75 CDC25B (0.48) CDC25BMAPTTDP1ALDH1A1KDM4E
SCHEMBL6233980 0.75 SELL (0.45) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL3815597 0.74 CSNK2A1 (0.38) MAPTTDP1KMT2AMEN1POLB
SCHEMBL13114314 0.73 TSHR (0.47) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4469856 0.72 CDC25B (0.78) CDC25BMAPTTDP1ALDH1A1KDM4E

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