SCHEMBL6537858

SCHEMBL6537858

O=C(Nc1cccc2c(NNS(=O)(=O)Cc3ccccc3)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.44
TYK2 P29597 5/20 0.44
JAK1 P23458 1/20 0.44
GLO1 Q04760 1/20 0.41
KDR P35968 1/20 0.40
SLC40A1 Q9NP59 2/20 0.38
SLC16A3 O15427 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL6537420 0.88 TYK2 (0.47) JAK2TYK2JAK1KDRSLC40A1
SCHEMBL6538149 0.85 SLC40A1 (0.50) JAK2TYK2JAK1KDRSLC40A1
SCHEMBL6537459 0.83 TYK2 (0.49) JAK2TYK2JAK1KDRSLC40A1
SCHEMBL6537325 0.81 JAK2 (0.43) JAK2TYK2JAK1KDRSLC40A1
SCHEMBL6537323 0.81 JAK2 (0.43) JAK2TYK2JAK1KDRSLC40A1
SCHEMBL6537375 0.81 CCNC (0.48) JAK2TYK2JAK1KDRSLC16A3
SCHEMBL6537767 0.79 TYK2 (0.53) JAK2TYK2JAK1KDRPABPC1
SCHEMBL6538203 0.79 TYK2 (0.55) JAK2TYK2JAK1KDRSLC40A1
Hydrochloric Acid SCHEMBL6538361 0.79 JAK2 (0.49) JAK2TYK2JAK1KDRPABPC1
SCHEMBL6537638 0.78 KMT2A (0.49) JAK2TYK2JAK1SLC40A1KMT2A

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