SCHEMBL9057400

SCHEMBL9057400

CC(C)(C)NS(=O)(=O)c1cc2c(s1)SN(C/C=C/CN1CCOCC1)CC2O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
F10 P00742 1/20 0.31
GAA P10253 1/20 0.31
RORC P51449 1/20 0.30
RORB Q92753 1/20 0.30

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
SCHEMBL9057403 1.00 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8950225 0.80 CA2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8950220 0.80 CA2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9115594 0.76 CA2 (0.32)
SCHEMBL9057353 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7509438 0.72 CA2 (0.45)
SCHEMBL8950356 0.68 CA2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8950362 0.68 CA2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9114356 0.66 CA2 (0.37) ALDH1A1KMT2A
SCHEMBL7515454 0.63 KMT2A (0.59) ALDH1A1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022099-A1 OPHTHALMIC COMPOSITIONS FOR TREATING GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-25 WO disclosed
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