SCHEMBL10118801

SCHEMBL10118801

CNC(=O)c1ccc(C2CN3C=CC=CC3=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCD5 Q86SK9 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 1/20 0.34
PLK1 P53350 4/20 0.34
THRB P10828 1/20 0.34
HDAC1 Q13547 1/20 0.33
CYP17A1 P05093 1/20 0.33
CA2 P00918 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL3441139 0.68 HDAC6 (0.38) HDAC2HDAC8HDAC6HPGDKDM4E
SCHEMBL17664589 0.63 HDAC8 (0.59) HDAC2HDAC8HDAC6HPGDALDH1A1
SCHEMBL250247 0.63 HDAC6 (0.80) HDAC2HDAC8HDAC6HPGDALDH1A1
SCHEMBL13601781 0.61 HDAC2 (0.52) HDAC2HDAC8HDAC6HPGDTSHR
SCHEMBL8314098 0.61 HDAC8 (0.51) HDAC2HDAC8HDAC6HPGDALDH1A1
SCHEMBL479724 0.60 HDAC2 (0.67) HDAC2HDAC8HDAC6HPGDALDH1A1
SCHEMBL10283170 0.60 HDAC8 (0.69) HDAC2HDAC8HDAC6HPGDALDH1A1
SCHEMBL23269700 0.60 HDAC8 (0.61) HDAC2HDAC8HDAC6HPGDALDH1A1
SCHEMBL28520142 0.59 HDAC6 (0.59) HDAC2HDAC8HDAC6HPGDTSHR
SCHEMBL16198923 0.58 HDAC6 (0.70) HDAC2HDAC8HDAC6HPGDTSHR

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-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed