SCHEMBL9702100

SCHEMBL9702100

O=[N+]([O-])c1ccc(S(=O)(=O)CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.55
CA2 P00918 7/20 0.55
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
CA3 P07451 3/20 0.55
CA4 P22748 3/20 0.55
CA6 P23280 3/20 0.55
CA5A P35218 3/20 0.55
CA7 P43166 3/20 0.55
CA13 Q8N1Q1 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
HSD11B1 P28845 1/20 0.54
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL9340091 0.84 CA2 (0.58) CA1CA2CA12CA9CA14
SCHEMBL4253160 0.83 CA2 (0.59) CA1CA2CA12CA9CA14
SCHEMBL19126866 0.83 CA2 (0.59) CA1CA2CA12CA9CA14
SCHEMBL2296287 0.81 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL7861808 0.80 HTT (0.57) CA1CA2CA12CA9CA14
SCHEMBL288536 0.79 CA2 (0.55) CA1CA2CA12CA9CA14
SCHEMBL11260866 0.79 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL14416006 0.79 CA2 (0.55) CA1CA2CA12CA9CA14
SCHEMBL1661124 0.79 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL27267578 0.79 CA1 (0.61) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106718-A Heat resistant relief structures CIBA-GEIGY CORPORATION (US) 1992-04-21 US claimed
EP-0364949-A2 Heat-stable positive photoresist CIBA-GEIGY AG (CH) 1990-04-25 EP claimed
US-5106718-A Heat resistant relief structures CIBA-GEIGY CORPORATION (US) 1992-04-21 US disclosed
EP-0364949-A2 Heat-stable positive photoresist CIBA-GEIGY AG (CH) 1990-04-25 EP disclosed