SCHEMBL5359392

SCHEMBL5359392

Cc1cccc(C)c1N=Nc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.56
▸ PHLPP2 Q6ZVD8 3/20 0.49
▸ ATIC P31939 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ GLO1 Q04760 1/20 0.45
▸ 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
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ GAA P10253 1/20 0.42

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
SCHEMBL5356833 0.88 RPS6KA3 (0.61) RPS6KA3PHLPP2ATICPOLBCYP2D6
SCHEMBL5364165 0.86 RPS6KA3 (0.62) RPS6KA3PHLPP2ATICPOLBCYP2D6
SCHEMBL5357061 0.84 RPS6KA3 (0.58) RPS6KA3PHLPP2ATICPOLBCYP2D6
SCHEMBL8844924 0.83 RPS6KA3 (0.64) RPS6KA3PHLPP2ATICPOLBCYP2D6
SCHEMBL8844931 0.83 RPS6KA3 (0.64) RPS6KA3PHLPP2ATICPOLBCYP2D6
SCHEMBL5351766 0.82 RPS6KA3 (0.59) RPS6KA3PHLPP2ATICPOLBCYP2D6
SCHEMBL5362440 0.82 MAPT (0.56) RPS6KA3PHLPP2ATICPOLBCYP2D6
SCHEMBL7821353 0.79 PHLPP2 (0.57) RPS6KA3PHLPP2POLBCYP2D6CYP1A2
SCHEMBL7821352 0.79 PHLPP2 (0.57) RPS6KA3PHLPP2POLBCYP2D6CYP1A2
SCHEMBL5355481 0.78 RPS6KA3 (0.55) RPS6KA3PHLPP2ATICPOLBCYP2D6

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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