SCHEMBL19554390

SCHEMBL19554390

Nc1ccc(Cl)cc1-c1noc(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.49
GRIK1 P39086 1/20 0.45
KMO O15229 1/20 0.41
FTO Q9C0B1 1/20 0.38
F11 P03951 3/20 0.37
KLKB1 P03952 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADH5 P11766 1/20 0.36
PPOX P50336 1/20 0.36

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
SCHEMBL2889340 0.88 GRIK1 (0.47) GRIK1KMOFTOTBK1ALDH1A1
SCHEMBL6710242 0.81 IDO1 (0.49) IDO1GRIK1KMOTBK1ALDH1A1
SCHEMBL5695123 0.81 GRIK1 (0.42) GRIK1KMOFTOF11KLKB1
SCHEMBL2892854 0.78 GRIK1 (0.50) GRIK1KMOF11KLKB1ALDH1A1
SCHEMBL6530898 0.77 ALDH1A1 (0.45) IDO1FTOTBK1ALDH1A1SMN1; SMN2
SCHEMBL1947739 0.75 KMO (0.44) GRIK1KMOFTOTBK1ALDH1A1
SCHEMBL19554382 0.74 TBK1 (0.36) GRIK1KMOFTOTBK1ALDH1A1
SCHEMBL12548091 0.73 ALDH1A1 (0.37) GRIK1KMOFTOTBK1ALDH1A1
SCHEMBL18603158 0.73 ALDH1A1 (0.57) KMOALDH1A1ADH5
SCHEMBL19554932 0.73 NPC1 (0.45) KMOFTOTBK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed