SCHEMBL6537895

SCHEMBL6537895

CCOC(=O)C=Cc1cnc2c(N)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP3A4 P08684 1/20 0.45
BACE1 P56817 2/20 0.44
FDPS P14324 1/20 0.44
CHEK1 O14757 1/20 0.44
MAOB P27338 1/20 0.43
P2RY12 Q9H244 1/20 0.43
CCNC P24863 1/20 0.43

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
SCHEMBL6537893 1.00 KDM4E (0.49) KDM4EKMT2ASMN1; SMN2TTRDPP4
SCHEMBL6538106 0.82 RAB9A (0.51) KDM4EKMT2ASMN1; SMN2TTRDPP4
SCHEMBL6538104 0.82 RAB9A (0.51) KDM4EKMT2ASMN1; SMN2TTRDPP4
SCHEMBL20153740 0.80 KMT2A (0.51) KDM4EKMT2ASMN1; SMN2TTRDPP4
SCHEMBL372012 0.80 KDM4E (0.76) KDM4EKMT2ASMN1; SMN2TTRDPP4
SCHEMBL372011 0.80 KDM4E (0.76) KDM4EKMT2ASMN1; SMN2TTRDPP4
SCHEMBL6537724 0.77 PSMD14 (0.50) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL6537149 0.77 MAPT (0.45) KDM4EKMT2ASMN1; SMN2TTRDPP4
SCHEMBL6537152 0.77 MAPT (0.45) KDM4EKMT2ASMN1; SMN2TTRDPP4
SCHEMBL30634283 0.75 CYP3A4 (0.47) KDM4EKMT2ASMN1; SMN2TTRDPP4

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