SCHEMBL13922332

SCHEMBL13922332

Cc1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.82
▸ KMT2A Q03164 2/20 0.82
▸ THRB P10828 1/20 0.82
▸ TDP1 Q9NUW8 1/20 0.82
▸ CYP1A2 P05177 6/20 0.74
▸ HIF1A Q16665 3/20 0.74
▸ ALDH1A1 P00352 3/20 0.74
▸ ENPP2 Q13822 8/20 0.59
▸ CYP2C9 P11712 3/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PTPRA P18433 1/20 0.55
▸ PTPRB P23467 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RAPGEF4 Q8WZA2 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ SUMO2 P61956 1/20 0.52
▸ SUMO1 P63165 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP3 Q9H4L4 1/20 0.52
▸ SENP2 Q9HC62 1/20 0.52

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
Amaranth SCHEMBL108344 0.90 THRB (1.00) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL31222692 0.90 THRB (1.00) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL185414 0.90 THRB (1.00) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL29371627 0.90 THRB (1.00) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL344622 0.90 THRB (1.00) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL9577797 0.89 THRB (0.98) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL473254 0.89 THRB (0.98) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL185412 0.89 THRB (0.98) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL4807654 0.89 THRB (0.98) MEN1KMT2ATHRBTDP1CYP1A2
Amaranth SCHEMBL27515187 0.89 THRB (0.98) MEN1KMT2ATHRBTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062171-A1 Home or fabric care compositions comprising certain dye-polymer complexes BASF SE (DE) 2009-03-05 — — US disclosed
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