SCHEMBL11034764

SCHEMBL11034764

NCCc1cc(CCN)cc(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ TSHR P16473 3/20 0.44
▸ F2 P00734 2/20 0.44
▸ TMPRSS4 Q9NRS4 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ NT5E P21589 3/20 0.41
▸ LCK P06239 1/20 0.39

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
SCHEMBL11054143 0.98 HTR6 (0.44) HTR6CA12CA1CA2CA4
SCHEMBL11460419 0.82 NT5E (0.42) HTR6CA12CA1CA2CA4
SCHEMBL10034885 0.80 HTR6 (0.67) HTR6CA12CA1CA2CA4
SCHEMBL11058241 0.80 NT5E (0.41) HTR6CA12CA1CA2CA4
SCHEMBL18289515 0.78 LCK (0.39) TSHRALDH1A1NT5ELCKFYN
SCHEMBL1806678 0.78 CA2 (0.67) HTR6CA12CA1CA2CA4
SCHEMBL11742571 0.77 CA2 (0.64) HTR6CA12CA1CA2CA4
SCHEMBL11054141 0.77 CA12 (0.48) HTR6CA12CA1CA2CA4
SCHEMBL4101244 0.77 CA2 (0.64) HTR6CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL31047154 0.77 F2 (0.66) HTR6CA12CA1CA2CA4

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
EP-0085472-B1 PHOTOSENSITIVE POLYMER COMPOSITION TORAY INDUSTRIES, INC. (JP) 1985-12-11 — — EP disclosed
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