SCHEMBL6537592

SCHEMBL6537592

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NR1H2 P55055 5/20 0.43
NR1H3 Q13133 5/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL6538040 0.92 MAPK10 (0.44) KMT2AMEN1NR1H2NR1H3MAPT
SCHEMBL6538054 0.90 TYK2 (0.44) NR1H2NR1H3JAK2JAK1TYK2
SCHEMBL6536913 0.90 NR1H2 (0.45) KMT2AMEN1NR1H2NR1H3MAPT
SCHEMBL6538368 0.89 P2RY14 (0.41) NR1H2NR1H3JAK2JAK1TYK2
SCHEMBL6538032 0.89 THRB (0.47) KMT2AMEN1NR1H2NR1H3JAK2
SCHEMBL6537848 0.87 NR1H2 (0.40) NR1H2NR1H3JAK2JAK1TYK2
SCHEMBL6537627 0.87 PTGS2 (0.43) KMT2AMEN1LMNAMAPTHTT
SCHEMBL6538353 0.87 MAPT (0.41) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL6537792 0.85 GHSR (0.43) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL6536777 0.85 GAA (0.43) KMT2AMEN1NR1H2NR1H3JAK2

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