SCHEMBL6537382

SCHEMBL6537382

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.52
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
KDR P35968 3/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PARP1 P09874 1/20 0.49
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PLEC Q15149 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6537399 0.85 KDR (0.49) MAPTTP53KDRHTTSMN1; SMN2
SCHEMBL6537743 0.85 KDR (0.48) MAPTTP53KDRHTTSMN1; SMN2
SCHEMBL6537536 0.85 KDR (0.52) MAPTTP53KDRHTTSMN1; SMN2
SCHEMBL6537713 0.84 JAK2 (0.52) MAPTTP53KDRHTTSMN1; SMN2
SCHEMBL6538256 0.84 MAPT (0.52) MAPTTP53KDRHTTSMN1; SMN2
SCHEMBL6537670 0.83 MAPT (0.47) MAPTTP53KDRHTTSMN1; SMN2
SCHEMBL6537883 0.83 KDR (0.46) MAPTTP53KDRHTTSMN1; SMN2
SCHEMBL6537899 0.83 KDR (0.46) SLC40A1MAPTTP53KDRHTT
SCHEMBL6538177 0.83 KDR (0.44) MAPTTP53KDRHTTSMN1; SMN2
SCHEMBL6537425 0.82 KDR (0.51) MAPTTP53KDRHTTSMN1; 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