SCHEMBL4595077

SCHEMBL4595077

O=S(=O)(CC1CC1)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.55
MMP2 P08253 4/20 0.54
MMP9 P14780 3/20 0.54
MMP14 P50281 2/20 0.54
JAK2 O60674 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
JAK1 P23458 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
AOC2 O75106 1/20 0.43
PTGS2 P35354 1/20 0.41

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
SCHEMBL21820745 0.92 CRBN (0.53) CRBNMMP2MMP9MMP14JAK2
SCHEMBL7356760 0.85 DRD2 (0.56) CRBNMMP2MMP9MMP14CYP3A4
SCHEMBL27659898 0.82 CRBN (0.51) CRBNMMP2MMP9MMP14JAK2
Bicarbonate SCHEMBL15103624 0.82 CRBN (0.48) CRBNMMP2MMP9MMP14JAK2
SCHEMBL14932783 0.81 KMT2A (0.51) CRBNMMP2MMP9MMP14JAK2
Hydrochloric Acid SCHEMBL1121703 0.81 CRBN (0.50) CRBNMMP2MMP9MMP14JAK2
SCHEMBL21820764 0.81 CRBN (0.54) CRBNMMP2MMP9MMP14JAK2
SCHEMBL3040016 0.81 L3MBTL1 (0.46) CRBNCYP3A4CYP2C19AOC2PKM
Hydrochloric Acid SCHEMBL3043138 0.79 L3MBTL1 (0.45) CRBNCYP3A4CYP2C19AOC2PKM
SCHEMBL2536571 0.79 MAOA (0.40) CRBNMMP2MMP9MMP14MAOA

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed