SCHEMBL6537726

SCHEMBL6537726

O=C(O)c1ccc(C(=O)Nc2cccc3cc(Br)cnc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
KDR P35968 5/20 0.58
HDAC6 Q9UBN7 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
DHODH Q02127 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6537872 0.91 KDR (0.57) TDP1KDRHDAC6L3MBTL1MAPT
SCHEMBL6537976 0.89 TDP1 (0.60) TDP1KDRHDAC6L3MBTL1GAA
SCHEMBL6538190 0.89 KDR (0.67) TDP1KDRHDAC6L3MBTL1GAA
SCHEMBL6537395 0.86 TDP1 (0.57) TDP1KDRHDAC6L3MBTL1GAA
SCHEMBL6536444 0.85 TDP1 (0.56) TDP1KDRHDAC6L3MBTL1GAA
SCHEMBL6537708 0.85 KMT2A (0.63) TDP1KDRHDAC6MAPTNPC1
SCHEMBL6538118 0.82 KDR (0.56) TDP1KDRHDAC6L3MBTL1GAA
SCHEMBL6537795 0.82 NPC1 (0.70) TDP1KDRHDAC6L3MBTL1MAPT
SCHEMBL6537334 0.82 L3MBTL1 (0.70) TDP1KDRHDAC6L3MBTL1GAA
SCHEMBL6537930 0.81 KDR (0.54) TDP1KDRHDAC6L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed