SCHEMBL7149299

SCHEMBL7149299

Fc1ccc(COc2cccnc2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.57
NOS2 P35228 1/20 0.57
MAPT P10636 2/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LRRK2 Q5S007 1/20 0.48
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 1/20 0.45
ACHE P22303 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CSF1R P07333 1/20 0.44
MAPK1 P28482 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
SCHEMBL7154078 0.82 RAB9A (0.61) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL7147166 0.81 MAOB (0.59) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL9791457 0.79 MAPT (0.61) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL16047069 0.77 MAOB (0.44) NOS1NOS2LRRK2MAOBMAOA
SCHEMBL30150593 0.76 RAB9A (0.62) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL1323646 0.76 RAB9A (0.62) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL24932986 0.76 RAB9A (0.61) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL30896277 0.76 RAB9A (0.61) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL12292103 0.76 RAB9A (0.61) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL27625101 0.76 MAPT (0.61) NOS1NOS2MAPTRAB9ANPSR1

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-6667327-B2 Pyridine amido derivatives HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed