SCHEMBL6538010

SCHEMBL6538010

NCCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TYK2 P29597 7/20 0.49
JAK2 O60674 6/20 0.49
JAK1 P23458 3/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
FERMT2 Q96AC1 3/20 0.46
HTR1A P08908 3/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
KDR P35968 1/20 0.42
CYP3A4 P08684 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
SLC16A3 O15427 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL6538110 0.93 TYK2 (0.51) SMN1; SMN2HTTHSD17B10TYK2JAK2
SCHEMBL6537677 0.88 SMN1; SMN2 (0.52) SMN1; SMN2HTTHSD17B10TYK2JAK2
SCHEMBL6537338 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HTTHSD17B10TYK2JAK2
SCHEMBL6537898 0.84 SMN1; SMN2 (0.70) SMN1; SMN2HTTHSD17B10TYK2JAK2
SCHEMBL6537668 0.83 TYK2 (0.55) SMN1; SMN2HTTTYK2JAK2JAK1
SCHEMBL6537375 0.83 CCNC (0.48) SMN1; SMN2HTTHSD17B10TYK2JAK2
SCHEMBL6538261 0.83 SLC40A1 (0.55) SMN1; SMN2HTTHSD17B10TYK2JAK2
SCHEMBL6537556 0.83 JAK2 (0.46) SMN1; SMN2HTTHSD17B10TYK2JAK2
SCHEMBL6538203 0.81 TYK2 (0.55) SMN1; SMN2HTTHSD17B10TYK2JAK2
SCHEMBL6538073 0.81 TYK2 (0.56) SMN1; SMN2HTTTYK2JAK2JAK1

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