SCHEMBL5362440

SCHEMBL5362440

Cc1ccc(C)c(N=Nc2cc(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)cc2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ RPS6KA3 P51812 1/20 0.56
▸ MEN1 O00255 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PHLPP2 Q6ZVD8 3/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ FTO Q9C0B1 1/20 0.48
▸ ENPP2 Q13822 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL5351766 0.90 RPS6KA3 (0.59) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL8844114 0.88 MAPT (0.70) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL8844121 0.88 MAPT (0.70) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL5357061 0.86 RPS6KA3 (0.58) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL5364165 0.86 RPS6KA3 (0.62) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL8844931 0.83 RPS6KA3 (0.64) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL8844924 0.83 RPS6KA3 (0.64) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL5359392 0.82 RPS6KA3 (0.56) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL5356833 0.81 RPS6KA3 (0.61) MAPTNPC1RAB9AMAPK1TDP1
SCHEMBL12486691 0.79 RPS6KA3 (0.62) MAPTNPC1RAB9AMAPK1TDP1

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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