SCHEMBL9115575

SCHEMBL9115575

C=CCN1Sc2sc(S(N)(=O)=O)cc2C=C1CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.46
CA4 P22748 2/20 0.46
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL9058838 0.86 CA2 (0.49) CA2CA4
SCHEMBL9058019 0.84 CA2 (0.47) CA2CA4
SCHEMBL9058281 0.84 CA2 (0.49) CA2CA4
SCHEMBL9058087 0.84 CA2 (0.46) CA2CA4
SCHEMBL9057643 0.84 CA2 (0.47) CA2CA4
SCHEMBL9058335 0.82 CA2 (0.47) CA2CA4
SCHEMBL9057348 0.82 CA2 (0.49) CA2CA4MEN1KMT2A
SCHEMBL9057893 0.82 CA2 (0.50) CA2CA4
SCHEMBL9057317 0.81 CA2 (0.45) CA2CA4
SCHEMBL9057291 0.81 CA2 (0.48) CA2CA4

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
WO-1995019981-A1 THIENOTHIAZINE SULFONAMIDE DERIVATIVES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS CARBONIC ANHYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1995-07-27 WO disclosed