SCHEMBL6537627

SCHEMBL6537627

COc1ccccc1Oc1c(C)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PDE4D Q08499 1/20 0.42
AHR P35869 1/20 0.42
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6537672 0.87 HTT (0.42) HTTHSD17B10MEN1KMT2APDE4D
SCHEMBL6538202 0.87 RAB9A (0.42) HTTHSD17B10MEN1KMT2APDE4D
SCHEMBL6538040 0.87 MAPK10 (0.44) PTGS2MEN1KMT2ARAB9AALDH1A1
SCHEMBL6537592 0.87 KMT2A (0.44) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6536913 0.85 NR1H2 (0.45) PTGS2HTTMEN1KMT2AKDM4E
SCHEMBL6538353 0.84 MAPT (0.41) HTTHSD17B10MEN1KMT2ARAB9A
SCHEMBL6538153 0.82 PTGES (0.41) HTTHSD17B10MEN1KMT2ARAB9A
SCHEMBL6536777 0.82 GAA (0.43) HTTMEN1KMT2ARAB9AKDM4E
SCHEMBL6538368 0.82 P2RY14 (0.41) HTTHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL6537934 0.82 HTT (0.38) HTTHSD17B10MEN1KMT2APDE4D

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