SCHEMBL6537810

SCHEMBL6537810

COCC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TYK2 P29597 10/20 0.47
JAK2 O60674 9/20 0.47
JAK1 P23458 6/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGES O14684 1/20 0.41
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

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
SCHEMBL6537679 0.90 TYK2 (0.45) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL6537885 0.89 TYK2 (0.51) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL6537924 0.88 TYK2 (0.50) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL8474393 0.87 TYK2 (0.46) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL6538207 0.86 TYK2 (0.51) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL6537839 0.86 TYK2 (0.45) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL6537936 0.86 TYK2 (0.45) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL6537973 0.85 TYK2 (0.47) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL6537800 0.84 TYK2 (0.46) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2
SCHEMBL6538304 0.84 TYK2 (0.52) SMN1; SMN2ALDH1A1KDM4ETYK2JAK2

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