SCHEMBL6537626

SCHEMBL6537626

CCOC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
USP2 O75604 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
P2RY12 Q9H244 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK10 P53779 1/20 0.40
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL6537721 0.91 SMN1; SMN2 (0.52) ALDH1A1USP2MAPK1SMN1; SMN2TP53
SCHEMBL6538315 0.86 MAPT (0.45) USP2HTTSMN1; SMN2TP53POLB
SCHEMBL6538068 0.86 MAPT (0.45) LMNAHTTSMN1; SMN2TP53POLB
SCHEMBL6537773 0.85 LMNA (0.64) ALDH1A1USP2MAPK1LMNAHTT
SCHEMBL8472944 0.85 MAPK1 (0.45) ALDH1A1USP2MAPK1LMNAHTT
SCHEMBL6538112 0.84 MAPT (0.43) HTTSMN1; SMN2TP53POLBMEN1
SCHEMBL6537846 0.84 MAPT (0.43) HTTSMN1; SMN2TP53POLBGAA
SCHEMBL6537686 0.82 MAPT (0.45) HTTSMN1; SMN2TP53POLBMEN1
SCHEMBL6538090 0.82 TP53 (0.44) USP2LMNAHTTSMN1; SMN2TP53
SCHEMBL6537838 0.81 MAPT (0.46) HTTSMN1; SMN2TP53POLBGAA

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