SCHEMBL10465699

SCHEMBL10465699

O=CNc1ccc(Br)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
KDM5A P29375 2/20 0.39
NPC1 O15118 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ERN1 O75460 1/20 0.36
TYMS P04818 1/20 0.36
PABPC1 P11940 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
SCHEMBL10466139 0.79 RAB9A (0.46) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL24427676 0.79 CXCR2 (0.38) KDM5ANPC1MEN1KMT2ARAB9A
SCHEMBL7523472 0.79 SIGMAR1 (0.44) NPC1MEN1KMT2ARAB9AHPGD
SCHEMBL5434561 0.79 NPC1 (0.53) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5209247 0.79 ERN1 (0.52) KDM5ANPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL7531866 0.79 HTT (0.46) NPC1MEN1KMT2AALOX15RAB9A
SCHEMBL13167870 0.79 AAK1 (0.45) KDM5ANPC1MEN1KMT2ARAB9A
SCHEMBL10465409 0.78 ALOX15 (0.43) HSP90AA1TLR9NPC1MEN1KMT2A
SCHEMBL6596979 0.76 MAOB (0.36) KDM5AMEN1KMT2AALOX15SMN1; SMN2
SCHEMBL13167865 0.76 ALDH1A1 (0.36) KDM5ANPC1MEN1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed