Sugi Predict

Sugi Predict / Compounds / SCHEMBL1027685

SCHEMBL1027685

SCHEMBL1027685

N#CN1C=Cc2ccccc2S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA2 P00918 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ GPR3 P46089 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
SCHEMBL22565679 0.73 CA9 (0.40) CA9CA12CA2ELANEGPR3
SCHEMBL7347447 0.70 CA12 (0.36) CA9CA12CA2ATMELANE
SCHEMBL1840637 0.68 LMNA (0.41) CA9CA12CA2ELANE
SCHEMBL6992121 0.65 ELANE (0.34) CA9CA12CA2ELANE
SCHEMBL11036902 0.64 GPR3 (0.55) CA9CA12CA2ELANEGPR3
Water SCHEMBL27659746 0.63 CA9 (0.44) CA9CA12CA2ELANEGPR3
SCHEMBL11748728 0.60 GPR3 (0.39) CA9CA12CA2ELANEGPR3
SCHEMBL31003510 0.60 CA9 (0.46) CA9CA12CA2ELANEGPR3
SCHEMBL62430 0.60 CA9 (0.46) CA9CA12CA2ELANEGPR3
SCHEMBL11005895 0.60 CA12 (0.40) CA9CA12CA2GPR3

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
EP-2274042-A1 TREATMENT AND/OR PREVENTION OF MULTIPLE SCLEROSIS Epiphany Biosciences, Inc. (US) 2011-01-19 — — EP disclosed
WO-2009126327-A1 TREATMENT AND/OR PREVENTION OF MULTIPLE SCLEROSIS EPIPHANY BIOSCIENCES, INC. (US) 2009-10-15 — — WO disclosed