SCHEMBL6582935

SCHEMBL6582935

COC(CN(c1ccc2c(c1)C(C(=O)O)C2)S(C)(=O)=O)OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.36
MMP9 P14780 5/20 0.36
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL6796974 0.90 MMP2 (0.38) MMP2MMP9RAB9AMAPTSMN1; SMN2
SCHEMBL6579690 0.80 MAPT (0.33) MMP2MMP9RAB9AMAPTSMN1; SMN2
SCHEMBL6213755 0.67 GAA (0.40) MMP2MMP9SMN1; SMN2POLBL3MBTL1
SCHEMBL1520733 0.66 SIRT1 (0.45)
SCHEMBL19926708 0.61 ACHE (0.39) POLBHSD17B10TSHRALDH1A1
SCHEMBL6582614 0.61 MAPT (0.37) MAPTPOLBMEN1KMT2AHSD17B10
SCHEMBL3030809 0.61 TRPM5 (0.43) SMN1; SMN2TSHRALDH1A1
SCHEMBL6797835 0.60 OPRM1 (0.32) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL6579693 0.60 KMT2A (0.37) MAPTSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL547259 0.60 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ALDH1A1

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-1146044-B1 CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-09-01 EP disclosed
EP-1146044-A1 CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-10-17 EP disclosed