SCHEMBL6537872

SCHEMBL6537872

O=C(O)c1cccc(C(=O)Nc2cccc3cc(Br)cnc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.57
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 1/20 0.50
HDAC6 Q9UBN7 1/20 0.48
PKM P14618 2/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL6537726 0.91 TDP1 (0.61) KDRTDP1RAB9AMEN1KMT2A
SCHEMBL6537930 0.87 KDR (0.54) KDRTDP1RAB9AMEN1KMT2A
SCHEMBL6537334 0.86 L3MBTL1 (0.70) KDRTDP1RAB9AMEN1KMT2A
SCHEMBL6537795 0.86 NPC1 (0.70) KDRTDP1RAB9AMEN1KMT2A
SCHEMBL6538118 0.86 KDR (0.56) KDRTDP1RAB9AMEN1KMT2A
SCHEMBL6537710 0.86 KDR (0.53) KDRTDP1RAB9AMEN1KMT2A
SCHEMBL6538099 0.83 CLK1 (0.55) KDRTDP1RAB9AMEN1KMT2A
SCHEMBL6537714 0.83 KMT2A (0.61) KDRRAB9AMEN1KMT2ANPC1
SCHEMBL6537976 0.82 TDP1 (0.60) KDRTDP1RAB9AKMT2ANPC1
SCHEMBL6538190 0.82 KDR (0.67) KDRTDP1RAB9AMEN1KMT2A

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