SCHEMBL6537318

SCHEMBL6537318

O=C(Nc1cccc2c(OCc3ccco3)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.43
JAK2 O60674 6/20 0.43
JAK1 P23458 4/20 0.43
HPGD P15428 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 4/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
PSMD14 O00487 1/20 0.39
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 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
SCHEMBL6538096 0.84 PPIA (0.49) TYK2JAK2JAK1HPGDMAPT
SCHEMBL6537958 0.83 SMN1; SMN2 (0.48) TYK2JAK2JAK1MAPTMEN1
SCHEMBL6537682 0.82 TYK2 (0.47) TYK2JAK2JAK1HPGDMAPT
SCHEMBL6537597 0.80 HSD17B10 (0.55) TYK2JAK2JAK1HPGDMAPT
SCHEMBL6537947 0.80 TYK2 (0.46) TYK2JAK2JAK1HPGDMEN1
Hydrochloric Acid SCHEMBL6538275 0.80 HTT (0.48) TYK2JAK2JAK1MAPTMEN1
SCHEMBL6537462 0.79 TYK2 (0.49) TYK2JAK2JAK1MAPTMEN1
SCHEMBL6537785 0.78 TYK2 (0.44) TYK2JAK2JAK1MAPTMEN1
SCHEMBL6537386 0.78 MAPT (0.51) TYK2JAK2JAK1HPGDMAPT
SCHEMBL8475365 0.78 JAK2 (0.47) TYK2JAK2JAK1MAPTMEN1

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