SCHEMBL6200902

SCHEMBL6200902

CS(=O)(=O)OCC#Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KCNH2 Q12809 6/20 0.39
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
GRM5 P41594 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
ACACB O00763 1/20 0.34
SLC1A5 Q15758 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33

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
SCHEMBL5356150 0.83 CHRM2 (0.37) KCNH2CHRM2CHRM1MMP2GRM5
SCHEMBL3452817 0.82 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7571307 0.81 APP (0.44) KCNH2CHRM2CHRM1MMP2MMP9
SCHEMBL31046612 0.81 CYP2D6 (0.44) KCNH2CHRM2CHRM1GRM5PTGDR2
SCHEMBL7581858 0.81 CYP2D6 (0.44) KCNH2CHRM2CHRM1GRM5PTGDR2
SCHEMBL5359588 0.79 KMT2A (0.41) CA12CA1CA2CA7CA9
SCHEMBL6338672 0.79 KCNH2 (0.46) LMNAKCNH2MMP2CA12CA1
SCHEMBL7575151 0.78 CASP3 (0.40) LMNACA12CA1CA2CA7
SCHEMBL5038631 0.76 LSS (0.46) PTGDR2
SCHEMBL12016065 0.76 LMNA (0.46) LMNAKCNH2CHRM2CHRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977755-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2005-07-13 EP disclosed
EP-0977755-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-02-09 EP disclosed
US-6015813-A USEFUL IN TREATING A DISEASE IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM. NOVO NORDISK A/S (DK) 2000-01-18 US disclosed
WO-1998047900-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-10-29 WO disclosed