SCHEMBL6537941

SCHEMBL6537941

CN1CCN(c2c(C(N)=O)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 8/20 0.49
LCK P06239 1/20 0.48
MAPK14 Q16539 1/20 0.48
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
ATR Q13535 5/20 0.43
BCHE P06276 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
SCHEMBL6537601 0.89 HSD17B10 (0.49) USP2ALDH1A1LMNAMAPK1HTT
SCHEMBL6537773 0.86 LMNA (0.64) USP2ALDH1A1LMNAMAPK1HTT
SCHEMBL6537579 0.86 MAPK10 (0.51) LCKMAPK14USP2ALDH1A1LMNA
SCHEMBL6538059 0.84 LCK (0.47) LCKMAPK14USP2ALDH1A1LMNA
SCHEMBL6537716 0.81 HSD17B10 (0.52) LCKMAPK14USP2ALDH1A1LMNA
SCHEMBL6538287 0.80 JAK2 (0.44) CSF1RALDH1A1LMNA
SCHEMBL6537414 0.80 PTGES (0.41) CSF1RALDH1A1
SCHEMBL6537691 0.80 HSD17B10 (0.50) USP2ALDH1A1LMNAMAPK1HTT
SCHEMBL6537902 0.79 CYP3A4 (0.46) MAPK1HTTATR
SCHEMBL6537641 0.77 HSD17B10 (0.54) USP2ALDH1A1LMNAMAPK1HTT

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