SCHEMBL9769686

SCHEMBL9769686

Cc1cc(-n2oc(C(C)(C)C)c(CCl)c2=O)c([N+](=O)[O-])c(C)c1S(N)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA4 P22748 4/20 0.32
CA6 P23280 4/20 0.32
CA7 P43166 4/20 0.32
CA9 Q16790 4/20 0.32
CA13 Q8N1Q1 4/20 0.32
CA5B Q9Y2D0 4/20 0.32
CA12 O43570 2/20 0.32
CA3 P07451 1/20 0.32
HTT P42858 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL9769702 0.83
SCHEMBL10470481 0.69 HTT (0.35) HTT
SCHEMBL9769684 0.69 HTT (0.47) HTT
SCHEMBL9769701 0.67 VCAM1 (0.50) HTT
SCHEMBL12406434 0.61 ALDH1A1 (0.42) CA1CA2HTT
SCHEMBL21224681 0.59 CA2 (0.38) CA1CA2CA4CA6CA7
SCHEMBL28062419 0.59 CYP1A2 (0.49) CA1CA2CA9CA12HTT
SCHEMBL7763285 0.58 ALDH1A1 (0.40) CA1CA2CA4CA6CA7
SCHEMBL11321822 0.57 VCAM1 (0.44) CA1CA2CA9CA12
SCHEMBL10749672 0.57 ALDH1A1 (0.39)

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed