SCHEMBL6537516

SCHEMBL6537516

CNCCNc1c(CO[Si](C)(C)C(C)(C)C)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
TYK2 P29597 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
RAB9A P51151 1/20 0.33
GHSR Q92847 1/20 0.33
PTGES O14684 1/20 0.32
SYK P43405 1/20 0.32
BACE1 P56817 1/20 0.32
SLC16A3 O15427 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR1 O75376 1/20 0.32
CDK1 P06493 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL6537831 0.88 PTGES (0.40) SMN1; SMN2TYK2JAK2JAK1PTGES
SCHEMBL8477159 0.86 TYK2 (0.38) SMN1; SMN2TYK2JAK2JAK1RAB9A
SCHEMBL6538191 0.81 RAB9A (0.40) SMN1; SMN2TYK2JAK2JAK1RAB9A
SCHEMBL8588208 0.79 RAB9A (0.36) SMN1; SMN2TYK2JAK2JAK1RAB9A
SCHEMBL6537719 0.79 PTGES (0.40) SMN1; SMN2TYK2JAK2JAK1PTGES
SCHEMBL6537563 0.78 PTGES (0.40) SMN1; SMN2TYK2JAK2JAK1RAB9A
SCHEMBL6538181 0.77 MEN1 (0.34) SMN1; SMN2TYK2JAK2JAK1RAB9A
SCHEMBL6537656 0.76 MEN1 (0.32) SMN1; SMN2TYK2JAK2JAK1RAB9A
SCHEMBL6537929 0.75 PTGES (0.38) TYK2JAK2JAK1RAB9APTGES
SCHEMBL6537677 0.75 SMN1; SMN2 (0.52) SMN1; SMN2TYK2JAK2JAK1RAB9A

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