SCHEMBL27676543

SCHEMBL27676543

NCc1ccc(S(=O)(=O)c2ccc3c(N)c(S(=O)(=O)O)cc(O)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HKDC1 Q2TB90 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CASP6 P55212 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ PTPN5 P54829 1/20 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
SCHEMBL27658309 0.72 NT5E (0.49) NT5ECA1CA2CA9HTR6
SCHEMBL17774607 0.72 NT5E (0.47) NT5EMAPTGAAKDM4ECASP6
SCHEMBL1891262 0.71 MPL (0.57) NT5EMAPTHKDC1ALDH1A1
SCHEMBL6939118 0.70 NT5E (0.67) NT5EHKDC1GAAKDM4ECASP6
SCHEMBL6680428 0.70 CA1 (0.70) CA1CA2CA12CA4CA6
SCHEMBL1755059 0.70 ALDH1A1 (0.53) NT5EMAPTKDM4ECASP6NSD2
SCHEMBL17923474 0.70 TSHR (0.64) NT5ECA1CA2CA12CA4
SCHEMBL28306586 0.69 NT5E (0.44) NT5ECA1CA2CA12CA9
SCHEMBL27827976 0.69 ABAT (0.67) CA1CA2CA12CA4CA6
SCHEMBL17779175 0.68 ALDH1A1 (0.60) NT5EGAACASP6NSD2DUSP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1965125-B Method for the reactive coloration of leather BASF AG 2010-06-09 — — CN disclosed
CN-1965125-A Method for the reactive coloration of leather BASF AG (DE) 2007-05-16 — — CN disclosed
CN-1875144-A Reactive colouring of leather BASF AG (DE) 2006-12-06 — — CN disclosed
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