SCHEMBL12460495

SCHEMBL12460495

CC1=CCC(Cc2ccc(Cc3cc(-c4ccc(N)nc4)on3)cc2)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 3/20 0.36
ROCK2 O75116 3/20 0.36
PRKACA P17612 3/20 0.36
CDK2 P24941 3/20 0.36
KDR P35968 3/20 0.36
GSK3B P49841 3/20 0.36
AURKB Q96GD4 3/20 0.36
CDC7 O00311 2/20 0.36
MAP4K4 O95819 2/20 0.36
HIPK2 Q9H2X6 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
PAK4 O96013 1/20 0.36
PIM1 P11309 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL12460581 0.82 CDC7 (0.34) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL510779 0.77 RAB9A (0.48) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL510752 0.75 TDP1 (0.42) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL15196487 0.73 CYP19A1 (0.52) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL15196482 0.72 TDP1 (0.52) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL510648 0.71 TDP1 (0.42) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL12369730 0.71 CHRNB2 (0.41) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL510471 0.70 RAB9A (0.53) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL1106888 0.69 TDP1 (0.40) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL1106887 0.69 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1

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