SCHEMBL13317331

SCHEMBL13317331

Clc1cc(I)nc2cc(C3CC3)nn12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PLAT P00750 1/20 0.31
POLB P06746 1/20 0.31
FYN P06241 1/20 0.30

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
SCHEMBL5052617 0.83 PDE10A (0.43) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL1019767 0.81 PIK3CG (0.33) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL5056012 0.81 RAB9A (0.44) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL13896433 0.76 PDE10A (0.40) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL3299072 0.76 KDM4E (0.45) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL13298024 0.75 DYRK1A (0.36) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL13298034 0.73 CCR1 (0.45) KDM4EALDH1A1MAPTPOLB
SCHEMBL13298076 0.73 LMNA (0.33) FYN
SCHEMBL13317045 0.73 KDM4E (0.40) HPGDKDM4EMAPT
SCHEMBL1396125 0.72 FYN (0.36) GAAHPGDKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 US disclosed