SCHEMBL6537716

SCHEMBL6537716

CC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
TP53 P04637 6/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
PKM P14618 1/20 0.46
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 2/20 0.44
WDR5 P61964 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHB3 P54753 1/20 0.42
LCK P06239 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
SCHEMBL6537691 0.91 HSD17B10 (0.50) HSD17B10KDM4ETSHRTP53USP2
SCHEMBL6537601 0.90 HSD17B10 (0.49) HSD17B10KDM4ETSHRTP53USP2
SCHEMBL6537641 0.87 HSD17B10 (0.54) HSD17B10KDM4ETSHRTP53USP2
SCHEMBL6538372 0.87 MAPK1 (0.66) HSD17B10KDM4ETSHRTP53USP2
SCHEMBL6537532 0.84 TP53 (0.51) HSD17B10KDM4ETSHRTP53USP2
SCHEMBL6537941 0.81 CSF1R (0.49) USP2MAPK1ALDH1A1LMNAHTT
SCHEMBL6536422 0.79 TAS1R3 (0.45) HSD17B10KDM4ETSHRMAPK1ALDH1A1
SCHEMBL6537773 0.77 LMNA (0.64) HSD17B10KDM4ETP53USP2MAPK1
SCHEMBL6537579 0.77 MAPK10 (0.51) HSD17B10KDM4ETSHRUSP2MAPK1
SCHEMBL8489184 0.76 ALDH1A1 (0.45) HSD17B10KDM4ETSHRTP53RXFP1

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