SCHEMBL11532003

SCHEMBL11532003

[N]=Nc1c(S(=O)(=O)O)c(S(=O)(=O)O)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 8/20 0.47
▸ CTRC Q99895 2/20 0.47
▸ CYP2D6 P10635 1/20 0.44
▸ CYP1A2 P05177 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ATIC P31939 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SUMO2 P61956 1/20 0.40
▸ SUMO1 P63165 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP3 Q9H4L4 1/20 0.40
▸ SENP2 Q9HC62 1/20 0.40

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
SCHEMBL343279 0.85 MPL (0.48) MPLCTRCCYP2D6CYP1A2ALDH1A1
SCHEMBL8650449 0.80 MPL (0.52) MPLCTRCCYP1A2ALDH1A1HIF1A
SCHEMBL31398447 0.79 CYP2D6 (0.56) MPLCTRCCYP2D6CYP1A2ALDH1A1
SCHEMBL219389 0.79 CYP2D6 (0.56) MPLCTRCCYP2D6CYP1A2ALDH1A1
SCHEMBL3836872 0.78 CYP2D6 (0.54) MPLCTRCCYP2D6CYP1A2ALDH1A1
Ammonia Solution, Strong SCHEMBL30108950 0.78 CYP2D6 (0.54) MPLCTRCCYP2D6CYP1A2ALDH1A1
Ammonia Solution, Strong SCHEMBL28226082 0.78 CYP2D6 (0.54) MPLCTRCCYP2D6CYP1A2ALDH1A1
SCHEMBL1247911 0.78 CYP2D6 (0.54) MPLCTRCCYP2D6CYP1A2ALDH1A1
SCHEMBL14813073 0.78 CYP2D6 (0.54) MPLCTRCCYP2D6CYP1A2ALDH1A1
SCHEMBL28935034 0.78 CYP2D6 (0.54) MPLCTRCCYP2D6CYP1A2ALDH1A1

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-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 — — US claimed
US-4092308-A 4-Sulphomethyl substituted hydroxypyridone azo dyestuffs CIBA-GEIGY CORPORATION (US) 1978-05-30 — — US claimed
US-3971738-A Heavy metal complexes of azo compounds containing a halogeno-2,3-dihydroxy pyridine coupling component CIBA-GEIGY AG (CH) 1976-07-27 — — US claimed
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