SCHEMBL11684226

SCHEMBL11684226

Cc1ccc(S(=O)(=O)O)cc1N=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
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ SENP3 Q9H4L4 3/20 0.33
▸ SENP2 Q9HC62 3/20 0.33
▸ SENP1 Q9P0U3 3/20 0.33
▸ SUMO2 P61956 2/20 0.33
▸ SUMO1 P63165 2/20 0.33
▸ SENP7 Q9BQF6 2/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL11684505 0.91 PTPN11 (0.39) PTPN11FFAR4ALDH1A1HSD17B10SENP3
SCHEMBL11686361 0.86 PTPN11 (0.37) PTPN11FFAR4KMT2A
SCHEMBL11679955 0.82 TSHR (0.37) PTPN11ALDH1A1HSD17B10SENP3SENP2
SCHEMBL11682708 0.81 POLB (0.42) PTPN11FFAR4ALDH1A1HSD17B10SENP3
SCHEMBL11682454 0.80 SENP3 (0.44) PTPN11FFAR4ALDH1A1HSD17B10SENP3
SCHEMBL11683404 0.76 ALDH1A1 (0.38) PTPN11ALDH1A1HSD17B10SENP3SENP2
3-Chloroaniline SCHEMBL11687359 0.75 ALDH1A1 (0.47) ALDH1A1HSD17B10SENP2SUMO2SUMO1
SCHEMBL11683198 0.74 TP53 (0.41) PTPN11ALDH1A1HSD17B10TSHRCYP2C19
Aniline SCHEMBL11683885 0.72 ALDH1A1 (0.44) ALDH1A1HSD17B10SENP3SENP2SENP1
O-Tolylamine SCHEMBL11682944 0.71 PHLPP2 (0.38) ALDH1A1HSD17B10SENP3SENP2SENP1

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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