SCHEMBL19329732

SCHEMBL19329732

O=C(Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 10/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ RIPK1 Q13546 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CSNK1D P48730 1/20 0.44
▸ CSNK1G2 P78368 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
SCHEMBL18537879 0.83 LMNA (0.57) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL29500516 0.83 LMNA (0.57) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL31154057 0.81 MEN1 (0.54) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL4578043 0.80 IRAK4 (0.49) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL17488032 0.80 RAB9A (0.67) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL6990673 0.80 MEN1 (0.51) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL5743889 0.79 SMN1; SMN2 (0.74) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL25956596 0.78 IRAK4 (0.83) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL19329541 0.77 RIPK1 (0.54) IRAK4NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL418190 0.75 SMN1; SMN2 (0.52) IRAK4NPC1SMN1; SMN2RAB9AMEN1

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-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 — — WO disclosed
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