SCHEMBL6537692

SCHEMBL6537692

CC(=O)OCc1c(Br)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 1/20 0.40
TYK2 P29597 5/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES O14684 3/20 0.38
F2R P25116 1/20 0.38
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
MCL1 Q07820 1/20 0.36
KDR P35968 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
SCHEMBL6537402 0.86 JAK2 (0.43) MEN1KMT2ATYK2JAK2JAK1
SCHEMBL6538082 0.86 JAK2 (0.43) MEN1KMT2ATYK2JAK2JAK1
SCHEMBL6537389 0.86 POLB (0.43) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6537979 0.86 MEN1 (0.39) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6538341 0.85 MEN1 (0.40) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6537873 0.85 JAK2 (0.42) MEN1KMT2ATYK2JAK2JAK1
SCHEMBL6538090 0.84 TP53 (0.44) MEN1KMT2APOLBTDP1HTT
SCHEMBL6537791 0.84 JAK2 (0.41) MEN1KMT2ATYK2JAK2JAK1
SCHEMBL6537821 0.83 TYK2 (0.39) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6537933 0.81 TYK2 (0.44) MEN1KMT2APOLBTYK2JAK2

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