SCHEMBL6537558

SCHEMBL6537558

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KDR P35968 3/20 0.42
TP53 P04637 1/20 0.41
CDK14 O94921 3/20 0.41
CCNY Q8ND76 3/20 0.41
MET P08581 1/20 0.41
PTGES O14684 1/20 0.40
PLEC Q15149 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6537554 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTHTTLMNATSHR
SCHEMBL6538057 0.87 RAB9A (0.49) SMN1; SMN2MAPTHTTLMNATSHR
SCHEMBL6538053 0.87 RAB9A (0.49) SMN1; SMN2MAPTHTTLMNATSHR
Hydrochloric Acid SCHEMBL6538237 0.85 KDR (0.43) SMN1; SMN2MAPTHTTLMNATSHR
Hydrochloric Acid SCHEMBL6538232 0.85 KDR (0.43) SMN1; SMN2MAPTHTTLMNATSHR
SCHEMBL6537149 0.84 MAPT (0.45) SMN1; SMN2MAPTHTTLMNATSHR
SCHEMBL6537152 0.84 MAPT (0.45) SMN1; SMN2MAPTHTTLMNATSHR
SCHEMBL6537852 0.82 KDR (0.48) SMN1; SMN2MAPTHTTLMNATSHR
SCHEMBL6537730 0.82 PARP1 (0.52) SMN1; SMN2MAPTHTTLMNATSHR
SCHEMBL6537382 0.78 SLC40A1 (0.52) SMN1; SMN2MAPTHTTLMNATSHR

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