SCHEMBL6537773

SCHEMBL6537773

CCOC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1N1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
MAPK1 P28482 3/20 0.64
HTT P42858 3/20 0.64
ALDH1A1 P00352 3/20 0.64
USP2 O75604 2/20 0.64
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPK10 P53779 1/20 0.55
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GLA P06280 1/20 0.53
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADORA2A P29274 1/20 0.50

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
SCHEMBL6538372 0.90 MAPK1 (0.66) LMNAMAPK1HTTALDH1A1USP2
SCHEMBL6537941 0.86 CSF1R (0.49) LMNAMAPK1HTTALDH1A1USP2
SCHEMBL6537626 0.85 ALDH1A1 (0.45) LMNAMAPK1HTTALDH1A1USP2
SCHEMBL8472944 0.84 MAPK1 (0.45) LMNAMAPK1HTTALDH1A1USP2
SCHEMBL6537629 0.83 MAPT (0.50) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL6538111 0.83 KMT2A (0.58) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL8472949 0.83 USP2 (0.44) LMNAMAPK1HTTALDH1A1USP2
SCHEMBL6537579 0.82 MAPK10 (0.51) LMNAMAPK1HTTALDH1A1USP2
SCHEMBL6537564 0.82 MEN1 (0.48) HTTUSP2MEN1KMT2AMAPT
SCHEMBL6537853 0.82 CYP1A2 (0.46) LMNAMAPK1HTTALDH1A1USP2

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