SCHEMBL6537799

SCHEMBL6537799

CCOC(=O)C(C(=O)OCC)c1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.44
JAK2 O60674 5/20 0.44
JAK1 P23458 5/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KDR P35968 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL6538070 0.87 KMT2A (0.43) TYK2JAK2JAK1GAAMAPT
SCHEMBL6537664 0.82 POLB (0.45) TYK2JAK2JAK1GAAMAPT
SCHEMBL6537386 0.80 MAPT (0.51) TYK2JAK2JAK1GAAMAPT
SCHEMBL6537800 0.80 TYK2 (0.46) TYK2JAK2JAK1GAAMAPT
SCHEMBL6537948 0.80 MAPT (0.44) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6538084 0.80 TYK2 (0.53) TYK2JAK2JAK1MAPTKMT2A
SCHEMBL6538321 0.79 MAPT (0.45) TYK2JAK2JAK1GAAMAPT
SCHEMBL6538318 0.79 MAPT (0.45) TYK2JAK2JAK1GAAMAPT
SCHEMBL6538033 0.79 MAPT (0.39) TYK2JAK2JAK1GAAMAPT
SCHEMBL6538073 0.78 TYK2 (0.56) TYK2JAK2JAK1GAAMAPT

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 2 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