SCHEMBL6537657

SCHEMBL6537657

COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1N1CCN(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.37
RIPK1 Q13546 2/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LCK P06239 1/20 0.35
MAPK14 Q16539 1/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL6537499 0.92 KMT2A (0.35) RIPK1MEN1KMT2ANPC1HTT
SCHEMBL6537705 0.91 MEN1 (0.37) MEN1KMT2ANPC1HTTCRHBP
SCHEMBL6537953 0.91 PTGES (0.37) PTGESRIPK1MEN1KMT2ANPC1
SCHEMBL6538217 0.90 PTGES (0.37) PTGESRIPK1MEN1KMT2ALCK
SCHEMBL6538181 0.89 MEN1 (0.34) MEN1KMT2ANPC1HTTCRHBP
SCHEMBL6537304 0.87 PTGES (0.36) PTGESRIPK1MEN1KMT2AHTT
SCHEMBL6537602 0.86 PTGES (0.39) PTGESRIPK1MEN1KMT2ANPC1
SCHEMBL1230631 0.86 MAPT (0.39) MEN1KMT2AHTTCRHBPCRHR2
SCHEMBL6537998 0.84 PTGES (0.45) PTGESHSD17B10USP2
SCHEMBL6537701 0.84 ALDH1A1 (0.43) PTGESKMT2AHTTPOLBHSD17B10

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