SCHEMBL4064491

SCHEMBL4064491

CC(C)(C(=O)Nc1nc(-c2ccccc2)ns1)S(=O)(=O)c1ccc(Cl)cc1.Cc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CNR2 P34972 3/20 0.48
NTRK1 P04629 2/20 0.47
CNR1 P21554 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
THRB P10828 2/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1465843 0.88 MEN1 (0.62) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL1465115 0.86 SMN1; SMN2 (0.65) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL1463649 0.81 MAPT (0.63) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL4066714 0.78 CNR2 (0.57) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL4071291 0.74 CNR2 (0.46) TP53LMNASMN1; SMN2NPC1POLB
SCHEMBL1465183 0.74 CNR2 (0.78) MEN1KMT2ASMN1; SMN2CNR2CNR1
SCHEMBL4570740 0.73 SMN1; SMN2 (0.57) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL1464658 0.72 CNR2 (0.71) MEN1KMT2APOLBCNR2CNR1
SCHEMBL1465768 0.71 CNR2 (0.59) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL8550596 0.71 NTRK1 (0.65) MEN1KMT2ATP53LMNASMN1; SMN2

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-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed