SCHEMBL16426791

SCHEMBL16426791

Fc1ccccc1/C=C1/CNc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.54
▸ RAF1 P04049 1/20 0.54
▸ RPS6KB1 P23443 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ AKT1 P31749 1/20 0.54
▸ AKT2 P31751 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ PRKAG1 P54619 1/20 0.54
▸ MAP2K1 Q02750 1/20 0.54
▸ PRKAA1 Q13131 1/20 0.54
▸ MAPK14 Q16539 1/20 0.54
▸ DYRK2 Q92630 1/20 0.54
▸ NEK1 Q96PY6 1/20 0.54
▸ PRKAB1 Q9Y478 1/20 0.54
▸ NPC1 O15118 1/20 0.49
▸ IGF1R P08069 1/20 0.40
▸ NFE2L2 Q16236 3/20 0.39
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 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
SCHEMBL16426792 1.00 IKBKB (0.54) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL16427343 0.77 KDR (0.49) IKBKBKDRNFE2L2
SCHEMBL16427344 0.77 KDR (0.49) IKBKBKDRNFE2L2
SCHEMBL28129799 0.75 MAOB (0.43) MAPK1ALDH1A1LMNAHTTMAPT
SCHEMBL30603084 0.74 MAPT (0.53) RPS6KB1AKT1KDRMAPK14NPC1
SCHEMBL28620148 0.72 KDM4E (0.54) KDRMAP2K1NPC1ACHEALDH1A1
SCHEMBL3692774 0.71 NOS2 (0.41) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL30785015 0.71 NOS2 (0.41) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL3692772 0.71 NOS2 (0.41) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL15291319 0.71 JAK2 (0.39) IKBKBRAF1RPS6KB1MAPK1AKT1

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
US-20150038543-A1 ANTI-GLYCATION PROPERTIES OF OXINDOLE DERIVATIVES CHOUDHARY MUHAMMAD IQBAL (PK) 2015-02-05 — — US disclosed
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