SCHEMBL12697484

SCHEMBL12697484

CC(C)c1cccc(-c2nc(C(=O)N[C@H](C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
PDE2A O00408 7/20 0.38
CSNK1D P48730 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4B Q07343 1/20 0.36
PHGDH O43175 1/20 0.35

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
SCHEMBL1660660 1.00 HDAC1 (0.41) HDAC1HDAC8HDAC6PDE2ACSNK1D
SCHEMBL1988533 0.91 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE2ACSNK1D
SCHEMBL12697480 0.91 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE2ACSNK1D
SCHEMBL12604735 0.91 HDAC1 (0.41) HDAC1HDAC8HDAC6PDE2ACSNK1D
SCHEMBL12697450 0.90 ADRB2 (0.41) HDAC1HDAC8HDAC6PDE2ACSNK1D
SCHEMBL1987151 0.90 ADRB2 (0.41) HDAC1HDAC8HDAC6PDE2ACSNK1D
SCHEMBL12697556 0.89 HDAC1 (0.39) HDAC1HDAC8HDAC6PDE2ACSNK1D
SCHEMBL1986867 0.89 HDAC1 (0.39) HDAC1HDAC8HDAC6PDE2ACSNK1D
SCHEMBL12604749 0.89 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE2AKDM4E
SCHEMBL1988501 0.89 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE2AKDM4E

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-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed