SCHEMBL6537616

SCHEMBL6537616

O=C(Nc1cccc2cc(COc3ccccc3)cnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
EPHB3 P54753 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 2/20 0.43
PLEC Q15149 1/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GRM5 P41594 1/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP8 Q96LD8 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL6538309 0.87 PTGES (0.48) KDRMAPTPLECKMT2AMEN1
SCHEMBL6537645 0.85 KDR (0.43) KDRMAPTPLECKMT2AMEN1
SCHEMBL6537481 0.84 MAPT (0.46) KDRMAPTPLECKMT2AMEN1
SCHEMBL6537950 0.84 KDR (0.48) KDRMAPTPLECKMT2AMEN1
SCHEMBL6537320 0.83 KDR (0.47) KDRMAPTPLECKMT2AMEN1
SCHEMBL6538050 0.81 KDR (0.46) KDRMAPTPLECKMT2AMEN1
SCHEMBL8471791 0.80 MAOB (0.47) KDRMAPTPLECKMT2AMEN1
SCHEMBL6537425 0.80 KDR (0.51) KDREPHB3HDAC6MAPTPLEC
SCHEMBL6538256 0.78 MAPT (0.52) KDRMAPTPLECKMT2AMEN1
SCHEMBL6537703 0.78 JAK2 (0.47) KDRMAPTKMT2AMEN1SMN1; SMN2

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