SCHEMBL6537638

SCHEMBL6537638

Cc1ccc(S(=O)(=O)NNc2ccnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 2/20 0.49
HSP90AA1 P07900 1/20 0.49
RAB9A P51151 1/20 0.49
ADAM17 P78536 1/20 0.49
KLF5 Q13887 1/20 0.49
TDP1 Q9NUW8 5/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
SLC40A1 Q9NP59 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
CKS1B P61024 3/20 0.41

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
SCHEMBL6538149 0.91 SLC40A1 (0.50) JAK2JAK1TYK2SLC40A1
SCHEMBL6537459 0.86 TYK2 (0.49) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL6537420 0.84 TYK2 (0.47) JAK2JAK1TYK2SLC40A1ALDH1A1
SCHEMBL6537991 0.82 MMP2 (0.44) KMT2AMEN1TDP1JAK2JAK1
SCHEMBL6537767 0.81 TYK2 (0.53) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL6538203 0.81 TYK2 (0.55) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL6538241 0.80 GRM4 (0.43) JAK2JAK1TYK2HTTSMN1; SMN2
SCHEMBL6538207 0.79 TYK2 (0.51) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL6537858 0.78 JAK2 (0.44) KMT2AMEN1NPC1RAB9AJAK2
SCHEMBL6537926 0.78 TYK2 (0.50) KMT2AMEN1JAK2JAK1TYK2

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