SCHEMBL6537462

SCHEMBL6537462

O=C(Nc1cccc2c(OC(=O)c3c(Cl)cccc3Cl)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.49
JAK2 O60674 9/20 0.49
JAK1 P23458 6/20 0.49
KDR P35968 2/20 0.44
CYP3A4 P08684 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
HTT P42858 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6537597 0.87 HSD17B10 (0.55) TYK2JAK2JAK1KDRMEN1
SCHEMBL6537682 0.84 TYK2 (0.47) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL8475365 0.84 JAK2 (0.47) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538073 0.83 TYK2 (0.56) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537958 0.83 SMN1; SMN2 (0.48) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538096 0.82 PPIA (0.49) TYK2JAK2JAK1KDRMEN1
SCHEMBL6537947 0.82 TYK2 (0.46) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537348 0.81 TYK2 (0.44) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538409 0.81 TYK2 (0.51) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537365 0.81 TYK2 (0.46) TYK2JAK2JAK1KDRCYP3A4

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