SCHEMBL11671747

SCHEMBL11671747

O=S(=O)(O)OCCS(=O)(=O)c1ccc(S(=O)(=O)O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CD40 P25942 1/20 0.48
▸ CD40LG P29965 1/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ PRMT1 Q99873 1/20 0.47
▸ ENPP2 Q13822 10/20 0.46
▸ CYP2C9 P11712 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ DNASE1L3 Q13609 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
SCHEMBL11671754 1.00 THRB (0.50) THRBMEN1KMT2ATDP1CD40
SCHEMBL11671548 0.92 MEN1 (0.60) THRBMEN1KMT2ATDP1CD40
SCHEMBL11671554 0.92 MEN1 (0.60) THRBMEN1KMT2ATDP1CD40
SCHEMBL11672215 0.91 CYP1A2 (0.47) THRBMEN1KMT2ATDP1CD40
SCHEMBL11672209 0.91 CYP1A2 (0.47) THRBMEN1KMT2ATDP1CD40
SCHEMBL13880657 0.90 ENPP2 (0.55) THRBMEN1KMT2ATDP1CD40
SCHEMBL13880680 0.89 CD40 (0.49) THRBMEN1KMT2ATDP1CD40
SCHEMBL13880629 0.89 ENPP2 (0.55) THRBMEN1KMT2ATDP1CD40
SCHEMBL11671910 0.88 CD40 (0.47) THRBMEN1KMT2ATDP1CD40
SCHEMBL11671907 0.88 CD40 (0.47) THRBMEN1KMT2ATDP1CD40

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-4029598-A AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP E. MERCK A. G. (DT) 1977-06-14 — — US claimed
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