SCHEMBL3201672

SCHEMBL3201672

CC(=O)Nc1cccc2ccc(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c12.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.54
▸ CYP2C9 P11712 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ATIC P31939 1/20 0.43
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTPRA P18433 1/20 0.41
▸ PTPRB P23467 1/20 0.41
▸ RAPGEF4 Q8WZA2 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
SCHEMBL1435644 0.80 CA2 (0.51) CASP6CYP2C9CYP2C19HSD17B10PHLPP2
SCHEMBL4801475 0.80 CA2 (0.51) CASP6CYP2C9CYP2C19HSD17B10PHLPP2
SCHEMBL28836945 0.79 MAPT (0.53) CYP2C19ALDH1A1KDM4EMAPTHPGD
SCHEMBL184756 0.79 CA2 (0.52) CASP6CYP2C9CYP2C19HSD17B10PHLPP2
SCHEMBL8647387 0.79 CA2 (0.52) CASP6CYP2C9CYP2C19HSD17B10PHLPP2
SCHEMBL6120387 0.79 CA2 (0.52) CASP6CYP2C9CYP2C19HSD17B10PHLPP2
SCHEMBL18775362 0.79 CA2 (0.52) CASP6CYP2C9CYP2C19HSD17B10PHLPP2
SCHEMBL3033641 0.78 CD40 (0.49) CASP6CYP2C9CYP2C19HSD17B10PHLPP2
SCHEMBL4801447 0.77 CD40 (0.46) CYP2C9CYP2C19HSD17B10PHLPP2CA2
SCHEMBL4801488 0.77 CD40 (0.46) CYP2C9CYP2C19HSD17B10PHLPP2CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7670391-B2 Dye-containing pellets for coloring keratin fibers WELLA AG (DE) 2010-03-02 — — US disclosed
US-20090056039-A1 DYE-CONTAINING PELLETS FOR COLORING KERATIN FIBERS HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2009-03-05 — — US disclosed
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 — — US disclosed
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