SCHEMBL3515316

SCHEMBL3515316

N#Cc1ccc(Cc2ncc(CCN3CCOCC3)[nH]2)cc1Sc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
PGGT1B P53609 1/20 0.46
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
SRC P12931 9/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAP2K1 Q02750 5/20 0.37
FYN P06241 1/20 0.37
IGF1R P08069 2/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP3K1 Q13233 1/20 0.36
CDK1 P06493 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL3518912 0.83 FNTA (0.46) FNTAPGGT1BSRCFYNMAPK1
SCHEMBL8163840 0.80 KCNH2 (0.45) SRCSIGMAR1MAP2K1CDK1KDR
SCHEMBL3500956 0.79 FNTA (0.54) FNTAPGGT1BITGB2ICAM1ITGAL
SCHEMBL7163807 0.69 KCNH2 (0.44) SIGMAR1
SCHEMBL7970784 0.66 FNTA (0.65) FNTAPGGT1BSRC
SCHEMBL3501216 0.63 FNTA (1.00) FNTAPGGT1B
Hydrochloric Acid SCHEMBL7982012 0.63 FNTA (0.98) FNTAPGGT1B
SCHEMBL6213205 0.62 TSHR (0.66) SRCSIGMAR1FYN
SCHEMBL3500684 0.62 FNTA (0.54) FNTAPGGT1BSRCFYN
SCHEMBL8110596 0.60 BRS3 (0.52) CDK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP claimed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP disclosed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed