SCHEMBL27731983

SCHEMBL27731983

O=[N+]([O-])c1ccc2c(N=Nc3c(O)ccc4ccccc34)ccc(S(=O)(=O)O)c2c1.[Cr]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ TSHR P16473 2/20 0.72
▸ CYP2C19 P33261 2/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ HPGD P15428 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ ALOX12 P18054 1/20 0.72
▸ CSNK2A1 P68400 1/20 0.72
▸ PRMT1 Q99873 1/20 0.72
▸ HIF1A Q16665 2/20 0.60
▸ PTPRA P18433 1/20 0.60
▸ PTPRB P23467 1/20 0.60
▸ RAPGEF4 Q8WZA2 1/20 0.60
▸ MPL P40238 7/20 0.55
▸ CTRC Q99895 2/20 0.55
▸ CTRB1 P17538 1/20 0.53
▸ KMT2A Q03164 3/20 0.53

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
SCHEMBL184951 0.89 CYP1A2 (0.80) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30808001 0.89 CYP1A2 (0.80) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL184949 0.89 CYP1A2 (0.80) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL1139885 0.88 CYP1A2 (0.81) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30727468 0.88 CYP1A2 (0.81) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL4648939 0.88 CYP1A2 (0.81) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29407321 0.88 CYP1A2 (0.81) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL6003958 0.88 CYP1A2 (0.81) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29357895 0.87 CYP1A2 (0.80) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29259106 0.84 CYP1A2 (0.70) CYP1A2CYP2C9TSHRCYP2C19HSD17B10

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
CN-101384238-A Dye-containing pellets and use thereof WELLA AG (US) 2009-03-11 — — CN disclosed
CN-101374495-A Colorant for keratin fibers PROCTER & GAMBLE (US) 2009-02-25 — — CN disclosed
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