SCHEMBL6186076

SCHEMBL6186076

COC(=O)Oc1nccnc1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CUL4A Q13619 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL27598250 0.80 LMNA (0.33) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL2636627 0.78 KDM4E (0.34) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL4632562 0.77 PRKCI (0.38) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL7994968 0.77 ATR (0.34) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL15940616 0.72
SCHEMBL6639870 0.70 KDM4E (0.50) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL4634043 0.69 TDP1 (0.42) HSD17B10KDM4EHPGDALDH1A1ALOX15
SCHEMBL8378283 0.69 KDM4E (0.45) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL1198547 0.68 NPSR1 (0.48) KDM4EALDH1A1MAPTGAA
SCHEMBL8559884 0.68 PTPN11 (0.36) HSD17B10KDM4EHPGDALDH1A1TDP1

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-1341764-B1 ORTHO-SUBSTITUTED NITROGEN-CONTAINING BISARYL COMPOUNDS USED AS POTASSIUM CHANNEL INHIBITORS AVENTIS PHARMA GMBH (DE) 2005-06-15 EP disclosed
EP-1341764-A1 ORTHO-SUBSTITUTED NITROGEN-CONTAINING BISARYL COMPOUNDS USED AS POTASSIUM CHANNEL INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-09-10 EP disclosed
WO-2002046162-A1 ORTHO-SUBSTITUTED NITROGEN-CONTAINING BISARYL COMPOUNDS USED AS POTASSIUM CHANNEL INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 WO disclosed