SCHEMBL3517642

SCHEMBL3517642

C1=CN(Cc2cccnc2)c2ccccc2C=N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
P2RX7 Q99572 2/20 0.40
CYP11B1 P15538 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CHRNA7 P36544 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5804783 0.82 KDM4E (0.40) ALDH1A1KDM4EP2RX7CYP11B1MAPK1
SCHEMBL6629933 0.72 LMNA (0.39) ALDH1A1KDM4ELMNA
SCHEMBL6629608 0.71 HTR3E (0.36) KDM4ECYP11B1LMNA
SCHEMBL11868744 0.69 MAPT (0.38) ALDH1A1KDM4EPKMLMNAMAPK1
SCHEMBL4250722 0.67 SLC9A1 (0.38) ALDH1A1KDM4ETDP1LMNAMAPK1
SCHEMBL11102080 0.67 MAPK1 (0.51) ALDH1A1KDM4ETDP1PKMCHRNB2
SCHEMBL7251026 0.67 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1CHRNB2CHRNA4
SCHEMBL3689968 0.67 ALDH1A1 (0.36) ALDH1A1CYP11B1DRD2DRD3
SCHEMBL30910100 0.66 CHRNB2 (0.50) ALDH1A1KDM4ETDP1CHRNB2CHRNA4
SCHEMBL26092460 0.66 CHRNB2 (0.50) ALDH1A1KDM4ETDP1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO claimed
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
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
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO disclosed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed