SCHEMBL6864964

SCHEMBL6864964

C[Sn](C)(C)c1nn(Cc2ccccc2F)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
PDE5A O76074 14/20 0.48
ADORA3 P0DMS8 1/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL19152217 0.83 L3MBTL1 (0.66) MAPTPDE5AADORA3KCNH2L3MBTL1
SCHEMBL7810924 0.81 LMNA (0.46) MAPTL3MBTL1
SCHEMBL5774181 0.80 PDE5A (0.54) PDE5AADORA3KCNH2
SCHEMBL6762762 0.80 MAPT (0.50) MAPTPDE5AADORA3KCNH2L3MBTL1
SCHEMBL174998 0.80 MAPT (0.53) MAPTPDE5AADORA3KCNH2L3MBTL1
SCHEMBL6865363 0.80 MAPT (0.50) MAPTPDE5AADORA3KCNH2L3MBTL1
SCHEMBL18496415 0.79 PDE5A (0.59) PDE5AADORA3KCNH2
SCHEMBL19126778 0.78 ADORA3 (0.50) MAPTPDE5AADORA3KCNH2L3MBTL1
SCHEMBL175370 0.78 ATM (0.53) MAPTPDE5AADORA3KCNH2ATM
SCHEMBL6762615 0.77 MAPT (0.47) MAPTPDE5AADORA3KCNH2L3MBTL1

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-0944631-B1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES BAYER HEALTHCARE AG (DE) 2004-02-18 EP disclosed
US-6451805-B1 Substituted pyrazole derivatives for the treatment of cardiocirculatory diseases BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
EP-0944631-A1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES BAYER AG (DE) 1999-09-29 EP disclosed
WO-1998023619-A1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed