SCHEMBL28849239

SCHEMBL28849239

O=C(O)c1cccc2c(Br)nsc12

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 1/20 0.44
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 2/20 0.40
CDC25B P30305 1/20 0.40
KDM4E B2RXH2 6/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4A O75164 1/20 0.37
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL6230409 0.73 PRNP (0.49) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL31083578 0.72 NR4A1 (0.54) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL5866499 0.72 NR4A1 (0.54) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL14352993 0.72 CYP2A6 (0.41) ALDH1A1KDM4ECA1CA2HPGD
SCHEMBL6233778 0.71 NR4A1 (0.44) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL492059 0.70 CDK9 (0.41) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL25234206 0.69 NR4A1 (0.42) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL29406795 0.69 NR4A1 (0.73) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL27985 0.69 NR4A1 (0.73) NR4A1NR4A2NR4A3PRNPALDH1A1
SCHEMBL11660115 0.68 TBXAS1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074842-A 1, 2-benzothiazole compounds for the treatment of renal disorders 伊莱利利公司 2017-08-18 CN disclosed