SCHEMBL12460422

SCHEMBL12460422

Cc1cc(-c2ccc(N)nc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
MAP4K4 O95819 2/20 0.42
PIK3CD O00329 5/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
POLB P06746 2/20 0.40
PIK3CG P48736 1/20 0.38
CYP1A2 P05177 1/20 0.37
KCNH2 Q12809 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
TNIK Q9UKE5 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 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
SCHEMBL12460245 0.82 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1PIK3CD
SCHEMBL30096041 0.82 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1PIK3CD
SCHEMBL12369734 0.79 CYP2E1 (0.43) RAB9ANPC1NOS3NOS2MAP4K4
SCHEMBL14117652 0.78 ACHE (0.52) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL30685984 0.77 KCNH2 (0.47) RAB9ANPC1KDM4EMKNK1MKNK2
SCHEMBL12395306 0.76 CYP2E1 (0.41) RAB9ANPC1ALDH1A1MAP4K4PIK3CD
SCHEMBL13725640 0.76 RAB9A (0.40) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL30343249 0.76 PTGS2 (0.46) RAB9ANPC1KDM4EALDH1A1MAP4K4
SCHEMBL3342816 0.74 RAB9A (0.45) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL12112412 0.74 RAB9A (0.66) RAB9ANPC1KDM4EALDH1A1MEN1

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
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed