SCHEMBL11684505

SCHEMBL11684505

Cc1cc(S(=O)(=O)O)ccc1N=S(=O)=O.Nc1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.39
▸ FFAR4 Q5NUL3 8/20 0.36
▸ SENP3 Q9H4L4 3/20 0.35
▸ SENP2 Q9HC62 3/20 0.35
▸ SENP1 Q9P0U3 3/20 0.35
▸ SUMO2 P61956 2/20 0.35
▸ SUMO1 P63165 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL11684226 0.91 PTPN11 (0.39) PTPN11FFAR4SENP3SENP2SENP1
SCHEMBL11686361 0.84 PTPN11 (0.37) PTPN11FFAR4ENPP2KMT2A
Aniline SCHEMBL11683885 0.82 ALDH1A1 (0.44) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL11682708 0.81 POLB (0.42) PTPN11FFAR4SENP3SENP2SENP1
SCHEMBL11682454 0.80 SENP3 (0.44) PTPN11FFAR4SENP3SENP2SENP1
SCHEMBL11684850 0.74 TP53 (0.41) PTPN11SENP3SENP2SENP1SUMO2
O-Tolylamine SCHEMBL11682944 0.74 PHLPP2 (0.38) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL11679955 0.73 TSHR (0.37) PTPN11SENP3SENP2SENP1SUMO2
SCHEMBL11685478 0.71 ALDH1A1 (0.44) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL11516738 0.70 ALDH1A1 (0.56) FFAR4ALDH1A1HSD17B10FFAR1TSHR

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-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 — — US disclosed
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