SCHEMBL11671554

SCHEMBL11671554

O=S(=O)(O)OCCS(=O)(=O)c1ccc(S(=O)(=O)O)c(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ THRB P10828 2/20 0.60
▸ CYP1A2 P05177 5/20 0.58
▸ HIF1A Q16665 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ ENPP2 Q13822 5/20 0.45
▸ PRMT1 Q99873 1/20 0.43
▸ CYP2C9 P11712 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTPRA P18433 1/20 0.42
▸ PTPRB P23467 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ SUMO2 P61956 1/20 0.41
▸ SUMO1 P63165 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP3 Q9H4L4 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
SCHEMBL11671548 1.00 MEN1 (0.60) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL13880691 0.93 CYP1A2 (0.57) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL11671754 0.92 THRB (0.50) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL11671747 0.92 THRB (0.50) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL11672757 0.91 CYP1A2 (0.55) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL11672752 0.91 CYP1A2 (0.55) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL11671446 0.89 THRB (0.57) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL11671452 0.89 THRB (0.57) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL11671769 0.89 CYP1A2 (0.55) MEN1KMT2ATDP1THRBCYP1A2
SCHEMBL11671773 0.89 CYP1A2 (0.55) MEN1KMT2ATDP1THRBCYP1A2

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
US-4029597-A AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP E. MERCK A. G. (DT) 1977-06-14 — — US claimed
US-4029598-A AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP E. MERCK A. G. (DT) 1977-06-14 — — US claimed
Send feedback