SCHEMBL4442941

SCHEMBL4442941

C[C@@H](N)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ADRB2 P07550 3/20 0.54
ADRB1 P08588 2/20 0.54
ADRB3 P13945 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GLA P06280 1/20 0.53
BLM P54132 1/20 0.53
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
KIF11 P52732 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL2002046 1.00 CA12 (0.55) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL1285481 0.98 LMNA (0.55) CA12CA1CA2CA9LMNA
SCHEMBL28150820 0.84 CA1 (0.59) CA12CA1CA2CA9ADRB2
SCHEMBL301661 0.83 LMNA (0.70) CA12CA1CA2CA9LMNA
SCHEMBL27750065 0.81 HPGD (0.56) LMNAKDM4EADRB2ADRB1ADRB3
SCHEMBL6321975 0.80 LMNA (0.51) CA12CA1CA2CA9LMNA
SCHEMBL8486918 0.80 LMNA (0.63) CA12CA1CA2CA9LMNA
SCHEMBL12054668 0.80 KEAP1 (0.75) CA12CA1CA2CA9LMNA
SCHEMBL4370199 0.79 KEAP1 (0.52) KEAP1ALDH1A1SMN1; SMN2KIF11
Hydrochloric Acid SCHEMBL1474929 0.79 LMNA (0.53) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
EP-1857440-A1 Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2007-11-21 EP disclosed