SCHEMBL6537597

SCHEMBL6537597

COc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
HTT P42858 1/20 0.55
SLC40A1 Q9NP59 1/20 0.51
TYK2 P29597 5/20 0.50
JAK2 O60674 4/20 0.50
JAK1 P23458 3/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDR P35968 2/20 0.45
POLB P06746 2/20 0.45

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
SCHEMBL6537958 0.89 SMN1; SMN2 (0.48) HSD17B10HTTTYK2JAK2JAK1
SCHEMBL6537462 0.87 TYK2 (0.49) HSD17B10HTTTYK2JAK2JAK1
SCHEMBL8475365 0.85 JAK2 (0.47) HTTTYK2JAK2JAK1MEN1
SCHEMBL6537682 0.85 TYK2 (0.47) HSD17B10HTTTYK2JAK2JAK1
SCHEMBL6538073 0.84 TYK2 (0.56) HTTTYK2JAK2JAK1MEN1
SCHEMBL6538084 0.84 TYK2 (0.53) HTTTYK2JAK2JAK1MEN1
SCHEMBL6537783 0.83 TYK2 (0.44) HSD17B10HTTTYK2JAK2JAK1
SCHEMBL6537785 0.83 TYK2 (0.44) HSD17B10HTTTYK2JAK2JAK1
SCHEMBL6538096 0.83 PPIA (0.49) HTTSLC40A1TYK2JAK2JAK1
SCHEMBL6537947 0.83 TYK2 (0.46) HSD17B10HTTTYK2JAK2JAK1

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