SCHEMBL5353313

SCHEMBL5353313

CCc1ccccc1N=Nc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ RPS6KA3 P51812 1/20 0.51
▸ ATIC P31939 1/20 0.45
▸ GLO1 Q04760 1/20 0.44
▸ PHLPP2 Q6ZVD8 3/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ AMY1A P0DUB6 2/20 0.39
▸ MEN1 O00255 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
SCHEMBL5355481 0.85 RPS6KA3 (0.55) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL5364165 0.85 RPS6KA3 (0.62) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL5356833 0.80 RPS6KA3 (0.61) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL5359392 0.78 RPS6KA3 (0.56) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL5409499 0.78 ATIC (0.42) PTPN11POLBCYP2D6RPS6KA3ATIC
SCHEMBL31525881 0.77 RPS6KA3 (0.58) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL8844120 0.77 RPS6KA3 (0.58) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL8844116 0.77 RPS6KA3 (0.58) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL5357061 0.77 RPS6KA3 (0.58) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL17951495 0.77 POLB (0.68) POLBCYP2D6RPS6KA3ATICGLO1

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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