SCHEMBL9952236

SCHEMBL9952236

Cc1cc2[nH]nnc2c([N+](=O)[O-])c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GRIN2D O15399 5/20 0.41
GRIN3B O60391 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2A Q12879 5/20 0.41
GRIN2B Q13224 5/20 0.41
GRIN2C Q14957 5/20 0.41
GRIN3A Q8TCU5 5/20 0.41
GPR35 Q9HC97 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GALR3 O60755 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL10622786 0.88 KMT2A (0.43) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL9173550 0.86 KMT2A (0.42) KMT2AMEN1GRIN2DGRIN3BGRIN1
Silver SCHEMBL9173544 0.86 KMT2A (0.42) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL9951895 0.84 GPR35 (0.43) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL1020577 0.84 KMT2A (0.60) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL5702768 0.83 GPR35 (0.44) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL8623365 0.83 GRIN2D (0.44) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL1019999 0.81 GRIN2D (0.52) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL1020447 0.78 MEN1 (0.47) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL1023472 0.78 ALDH1A1 (0.44) KMT2AMEN1GRIN2DGRIN3BGRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP claimed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO claimed
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP disclosed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO disclosed