SCHEMBL5356833

SCHEMBL5356833

Cc1cccc(N=Nc2cc(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)cc2O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.61
▸ ATIC P31939 1/20 0.48
▸ PHLPP2 Q6ZVD8 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ GLO1 Q04760 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA2 P00918 4/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL5359392 0.88 RPS6KA3 (0.56) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL5364165 0.85 RPS6KA3 (0.62) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL6275454 0.84 RPS6KA3 (0.64) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL6275449 0.84 RPS6KA3 (0.64) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL5357061 0.83 RPS6KA3 (0.58) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL8844931 0.82 RPS6KA3 (0.64) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL8844924 0.82 RPS6KA3 (0.64) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL5362440 0.81 MAPT (0.56) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL5351766 0.81 RPS6KA3 (0.59) RPS6KA3ATICPHLPP2POLBCYP2D6
SCHEMBL5353313 0.80 PTPN11 (0.54) RPS6KA3ATICPHLPP2POLBCYP2D6

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
US-7306632-B2 Leave-in color conditioner HAIRMARKER LLC (US) 2007-12-11 — — US disclosed
US-20050198746-A1 Leave-in color conditioner HAIRMARKER LLC 2005-09-15 — — US disclosed
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