SCHEMBL3666768

SCHEMBL3666768

CN(C)c1ccccc1CC1CCC(NC(=O)COc2ccccc2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.39
BDKRB1 P46663 1/20 0.39
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL2488173 0.84 HTT (0.46) KMT2APOLBMEN1SMN1; SMN2GAA
SCHEMBL493413 0.82 KMT2A (0.42) KMT2APOLBMEN1SMN1; SMN2GAA
SCHEMBL2489904 0.77 KMT2A (0.45) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL493681 0.76 KMT2A (0.50) KMT2APOLBSMN1; SMN2ALDH1A1ALPL
SCHEMBL492816 0.73 BDKRB1 (0.36) KMT2APOLBMEN1GAAALDH1A1
SCHEMBL493592 0.71 ALDH1A1 (0.37) KMT2APOLBMEN1GAAALDH1A1
SCHEMBL492648 0.69 HTR2A (0.34) KMT2APOLBMEN1GAAALDH1A1
SCHEMBL493760 0.69 PKM (0.37) KMT2APOLBMEN1SMN1; SMN2GAA
SCHEMBL644106 0.68 KMT2A (0.48) KMT2APOLBMEN1SMN1; SMN2GAA
SCHEMBL493266 0.68 BDKRB1 (0.35) KMT2APOLBMEN1GAAALDH1A1

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-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed