SCHEMBL4011270

SCHEMBL4011270

CCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)nn1C.CCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK14 Q16539 8/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATAD2 Q6PL18 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
SCHEMBL766882 0.89 KMT2A (0.49) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL766943 0.89 CNR2 (0.58) CNR2MAPK14MAPTLMNAMAPK13
SCHEMBL1620986 0.78 CNR2 (0.66) CNR2MAPK14MAPTLMNAMAPK13
SCHEMBL1621065 0.78 NPC1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL3967832 0.77 CNR2 (0.55) CNR2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1621655 0.75 CNR2 (0.55) CNR2MAPK14MAPTLMNAMAPK13
SCHEMBL1621118 0.74 CNR2 (0.64) CNR2MAPK14MAPTLMNAMAPK13
SCHEMBL3661395 0.73 ATAD2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL1621453 0.72 ATAD2 (0.48) CNR2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1621510 0.72 CNR2 (0.59) CNR2MAPK14MAPTLMNAMAPK13

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-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed