SCHEMBL13090751

SCHEMBL13090751

Cc1cc(C(F)(F)F)c2oc(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.45
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
NOTUM Q6P988 4/20 0.38
AR P10275 2/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HSD17B10 Q99714 1/20 0.37
JAK2 O60674 2/20 0.35
CYP3A4 P08684 2/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL29316983 0.81 CACNA1H (0.39) NOTUM
SCHEMBL2149212 0.78 NOS1 (0.53) NOS1NOS2NOS3GRIN2DGRIN3B
SCHEMBL5543671 0.77 NOS1 (0.49) NOS1NOS2NOS3NOTUMGRIN2D
SCHEMBL5540014 0.74 NOS1 (0.49) NOS1NOS2NOS3GRIN2DGRIN3B
SCHEMBL5536403 0.74 NOS1 (0.49) NOS1NOS2NOS3GRIN2DGRIN3B
SCHEMBL13688720 0.72 NOS1 (0.47) NOS1NOS2NOS3GRIN2DGRIN3B
SCHEMBL13843816 0.71 NOS1 (0.46) NOS1NOS2NOS3GRIN2DGRIN3B
SCHEMBL12884766 0.70 NOS1 (0.45) NOS1NOS2NOS3NOTUMGRIN2D
SCHEMBL7788001 0.69 GRIN1 (0.61) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9380892 0.68 NOS1 (0.42) NOS1NOS2NOS3ARGRIN2D

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-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 WO disclosed