SCHEMBL6232575

SCHEMBL6232575

O=C(O)c1cccc2c(O)csc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
HMGB1 P09429 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
G6PD P11413 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL11660115 0.85 TBXAS1 (0.50) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6230409 0.81 PRNP (0.49) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6234251 0.80 ALDH1A1 (0.47) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6130779 0.78 TBXAS1 (0.48) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL10550955 0.77 HNF4A (0.50) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6305533 0.77 CLCN2 (0.43) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6235442 0.76 CDC25B (0.48) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6234160 0.76 POLB (0.43) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6229996 0.76 NR4A1 (0.41) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL31083578 0.74 NR4A1 (0.54) NR4A1NR4A2NR4A3ALDH1A1KDM4E

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