SCHEMBL28498170

SCHEMBL28498170

Nc1ccc(-c2ccc(N)cc2S(=O)(=O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)c3cccc(S(=O)(=O)O)c3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ TSHR P16473 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 2/20 0.45
▸ ANXA2 P07355 1/20 0.40
▸ S100A10 P60903 1/20 0.40
▸ NT5E P21589 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ GNG2 P59768 1/20 0.40
▸ GNB1 P62873 1/20 0.40
▸ NSD2 O96028 2/20 0.40
▸ CASP6 P55212 2/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ HTR6 P50406 4/20 0.36

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
SCHEMBL28491175 0.96 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL28488576 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL1004339 0.76 HSD17B10 (0.53) ALDH1A1TSHRHSD17B10TDP1NT5E
SCHEMBL28489186 0.76 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL9311779 0.76 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL30930080 0.76 TSHR (0.43) ALDH1A1TSHRHSD17B10TDP1LMNA
Hydrochloric Acid SCHEMBL8657314 0.75 HSD17B10 (0.52) ALDH1A1TSHRHSD17B10TDP1NT5E
SCHEMBL28483082 0.73 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1NT5E
SCHEMBL30767264 0.72 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL466589 0.72 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10TDP1LMNA

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
CN-108598533-B Coumarin-based photocyclization crosslinking sulfonated polyimide proton exchange membrane and preparation method thereof 同济大学 2020-11-03 — — CN disclosed
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