SCHEMBL5355481

SCHEMBL5355481

CCc1ccc(N=Nc2cc(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)cc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.55
▸ POLB P06746 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ PHLPP2 Q6ZVD8 4/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ ATIC P31939 1/20 0.45
▸ GLO1 Q04760 1/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA1 P00915 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP2C9 P11712 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL8844116 0.89 RPS6KA3 (0.58) RPS6KA3POLBCYP2D6PHLPP2CDK1
SCHEMBL31525881 0.89 RPS6KA3 (0.58) RPS6KA3POLBCYP2D6PHLPP2CDK1
SCHEMBL8844120 0.89 RPS6KA3 (0.58) RPS6KA3POLBCYP2D6PHLPP2CDK1
SCHEMBL5364165 0.88 RPS6KA3 (0.62) RPS6KA3POLBCYP2D6PHLPP2CDK1
SCHEMBL5353313 0.85 PTPN11 (0.54) RPS6KA3POLBCYP2D6PHLPP2CDK1
SCHEMBL5357061 0.81 RPS6KA3 (0.58) RPS6KA3POLBCYP2D6PHLPP2ATIC
SCHEMBL8844931 0.80 RPS6KA3 (0.64) RPS6KA3POLBCYP2D6PHLPP2ATIC
SCHEMBL8844924 0.80 RPS6KA3 (0.64) RPS6KA3POLBCYP2D6PHLPP2ATIC
SCHEMBL14612431 0.79 PHLPP2 (0.53) RPS6KA3POLBCYP2D6PHLPP2ATIC
SCHEMBL12954967 0.79 PHLPP2 (0.53) RPS6KA3POLBCYP2D6PHLPP2ATIC

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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