SCHEMBL6537372

SCHEMBL6537372

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CSc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.43
JAK2 O60674 6/20 0.43
JAK1 P23458 6/20 0.43
HDAC1 Q13547 2/20 0.42
CYP3A4 P08684 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KDR P35968 1/20 0.33
SLC16A3 O15427 1/20 0.33
PTGES O14684 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL6538269 0.91 TYK2 (0.42) TYK2JAK2JAK1HDAC1CYP3A4
SCHEMBL6537454 0.87 MAPT (0.40) TYK2JAK2JAK1HDAC1KMT2A
SCHEMBL6537622 0.81 TYK2 (0.42) TYK2JAK2JAK1CYP3A4TMEM97
SCHEMBL6537711 0.81 TYK2 (0.42) TYK2JAK2JAK1CYP3A4TMEM97
SCHEMBL6537581 0.80 SLC16A3 (0.42) TYK2JAK2JAK1HDAC1CYP3A4
SCHEMBL6538125 0.79 SLC16A3 (0.41) TYK2JAK2JAK1CYP3A4TMEM97
SCHEMBL6538375 0.78 SLC16A3 (0.39) TYK2JAK2JAK1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL6537826 0.78 HDAC1 (0.48) TYK2JAK2JAK1HDAC1CYP3A4
SCHEMBL8587312 0.78 TYK2 (0.44) TYK2JAK2JAK1HDAC1CYP3A4
SCHEMBL6537806 0.78 JAK2 (0.40) TYK2JAK2JAK1CYP3A4TMEM97

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