SCHEMBL11682708

SCHEMBL11682708

Nc1ccccc1C(F)(F)F.O=S(=O)=Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NT5E P21589 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ FFAR4 Q5NUL3 7/20 0.36
▸ SENP2 Q9HC62 3/20 0.35
▸ SUMO2 P61956 2/20 0.35
▸ SUMO1 P63165 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD11B1 P28845 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ SENP3 Q9H4L4 2/20 0.32
▸ SENP1 Q9P0U3 2/20 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
SCHEMBL11682454 0.86 SENP3 (0.44) POLBCYP2D6TSHRALDH1A1PTPN11
SCHEMBL11684116 0.84 FFAR4 (0.32) FFAR4
SCHEMBL11684505 0.81 PTPN11 (0.39) CYP2D6TSHRALDH1A1PTPN11FFAR4
SCHEMBL11684226 0.81 PTPN11 (0.39) CYP2D6TSHRALDH1A1PTPN11FFAR4
O-Tolylamine SCHEMBL11687186 0.80 CYP2D6 (0.45) POLBCYP2D6TSHRALDH1A1NT5E
Aniline SCHEMBL11683907 0.79 CYP2D6 (0.54) POLBCYP2D6TSHRALDH1A1NT5E
SCHEMBL11686361 0.78 PTPN11 (0.37) PTPN11FFAR4SMN1; SMN2KMT2A
SCHEMBL11682813 0.77 POLB (0.41) POLBALDH1A1PTPN11FFAR4SMN1; SMN2
SCHEMBL11682698 0.77 LMNA (0.33) FFAR4
SCHEMBL11682722 0.76 PTGS1 (0.47) POLBCYP2D6TSHRALDH1A1NT5E

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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