SCHEMBL6537843

SCHEMBL6537843

CCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
TYK2 P29597 6/20 0.42
JAK2 O60674 5/20 0.42
JAK1 P23458 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
AHR P35869 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLK1 P53350 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CRHBP P24387 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
SCHEMBL6538034 0.88 TYK2 (0.45) SLC16A3TYK2JAK2JAK1CYP3A4
SCHEMBL6538337 0.87 SLC16A3 (0.40) SLC16A3TYK2JAK2JAK1NPC1
Hydrochloric Acid SCHEMBL6537776 0.86 SLC16A3 (0.39) SLC16A3TYK2JAK2JAK1NPC1
SCHEMBL6537957 0.86 TYK2 (0.44) SLC16A3TYK2JAK2JAK1CYP3A4
SCHEMBL6538065 0.86 GAA (0.42) SLC16A3TYK2JAK2JAK1LMNA
SCHEMBL6537920 0.85 TYK2 (0.41) SLC16A3TYK2JAK2JAK1RAB9A
SCHEMBL6537695 0.85 PTGES (0.44) SLC16A3TYK2JAK2JAK1CYP3A4
SCHEMBL8589252 0.85 TYK2 (0.41) SLC16A3TYK2JAK2JAK1CYP3A4
SCHEMBL6537517 0.84 JAK2 (0.40) SLC16A3TYK2JAK2JAK1NPC1
SCHEMBL6537693 0.83 ALDH1A1 (0.43) SLC16A3TYK2JAK2JAK1CYP3A4

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