SCHEMBL13817752

SCHEMBL13817752

C/C=C(\Cc1cnc(Cc2ccc([N+](=O)[O-])cc2)n2ccnc12)OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
POLB P06746 4/20 0.36
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
NOS1 P29475 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MPI P34949 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOB P27338 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13236238 0.88 MAPT (0.39) MAPTPOLBRAB9AKMT2APTGDR2
SCHEMBL2950642 0.83 PTGDR2 (0.44) POLBKMT2APTGDR2CYP2C19NOS1
SCHEMBL5959155 0.76 POLB (0.39) MAPTPOLBRAB9ANPSR1KMT2A
SCHEMBL1923032 0.72 PTGDR2 (0.39) MAPTPOLBNPSR1KMT2APTGDR2
SCHEMBL12415767 0.71 ENPP1 (0.38) MAPTPOLBRAB9AKMT2APTGDR2
SCHEMBL2944286 0.67 PTGDR2 (0.48) MAPTPOLBRAB9ANPC1KMT2A
SCHEMBL1646112 0.64 POLB (0.50) MAPTPOLBRAB9AKMT2ANOS1
SCHEMBL19468191 0.61 POLB (0.47) MAPTPOLBRAB9ANPC1KMT2A
SCHEMBL13236237 0.61 PTGS2 (0.43) MAPTPOLBNPSR1KMT2ACYP2C19
SCHEMBL13236234 0.61 PTGS2 (0.43) MAPTPOLBRAB9AKMT2ACYP2C19

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-1718649-B1 IMIDAZO 1,2-C PYRIMIDINYLACETIC ACID DERIVATIVES ACTIMIS PHARMACEUTICALS INC (US) 2009-06-10 EP disclosed