SCHEMBL6233778

SCHEMBL6233778

O=C(O)c1cccc2c(Br)c(Br)sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
PRNP P04156 2/20 0.44
GPR35 Q9HC97 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
CDC25B P30305 3/20 0.40
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 1/20 0.37
FABP4 P15090 1/20 0.36
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL25234206 0.86 NR4A1 (0.42) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL31083578 0.81 NR4A1 (0.54) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL5866499 0.81 NR4A1 (0.54) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL6230409 0.73 PRNP (0.49) NR4A1NR4A2NR4A3PRNPGPR35
SCHEMBL4935698 0.73 PRNP (0.51) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL30944689 0.73 PRNP (0.51) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL28849239 0.71 NR4A1 (0.44) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL1116170 0.71 ALDH1A1 (0.60) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL16892804 0.69 CYP1A2 (0.42) NR4A2TSHRHDAC8
SCHEMBL300219 0.69 ALDH1A1 (0.48) NR4A1NR4A2NR4A3PRNPALDH1A1

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