SCHEMBL3262242

SCHEMBL3262242

CCOC(=O)c1c(Cc2ccccc2)[nH][nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALOX5 P09917 5/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PTGES O14684 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
SCHEMBL3261384 0.86 LMNA (0.57) PDE3BPDE3AMAPTNPC1RAB9A
SCHEMBL11553029 0.79 ALOX5 (0.54) SMN1; SMN2PDE3BPDE3AALOX5KDM4E
SCHEMBL1659952 0.78 CYP1A2 (0.49) SMN1; SMN2MAPTKMT2ACA12CA1
SCHEMBL13495321 0.75 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL7005248 0.75 RAB9A (0.54) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL25382643 0.74 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL7006136 0.73 RAB9A (0.52) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3262663 0.73 SMN1; SMN2 (0.51) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL9696908 0.73 ALOX5 (0.56) MAPTKMT2AALOX5KDM4EPTGES
SCHEMBL16345116 0.72 KMT2A (0.62) SMN1; SMN2PDE3BPDE3AMAPTKMT2A

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
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed