SCHEMBL6537831

SCHEMBL6537831

CNCCNc1c(COC)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
TYK2 P29597 3/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.35
SLC16A3 O15427 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL6537719 0.91 PTGES (0.40) PTGESSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL6537563 0.89 PTGES (0.40) PTGESSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL6537516 0.88 SMN1; SMN2 (0.34) PTGESSMN1; SMN2MEN1POLBKMT2A
SCHEMBL6538208 0.86 PTGES (0.42) PTGESSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL6537929 0.86 PTGES (0.38) PTGESMEN1POLBKMT2ATYK2
SCHEMBL6538191 0.85 RAB9A (0.40) SMN1; SMN2MEN1KMT2ATYK2JAK2
SCHEMBL6538286 0.85 PTGES (0.41) PTGESSMN1; SMN2MEN1POLBKMT2A
SCHEMBL6537695 0.84 PTGES (0.44) PTGESSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL6537759 0.83 PTGES (0.44) PTGESSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL6537987 0.83 PTGES (0.47) PTGES

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