SCHEMBL4016147

SCHEMBL4016147

CC(C)(C(=O)Nc1ccc2ccccc2n1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1ccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
GCK P35557 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.38
MGLL Q99685 1/20 0.38
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
NOD2 Q9HC29 1/20 0.37
ALOX5 P09917 1/20 0.36
ABL1 P00519 1/20 0.36
FAAH O00519 1/20 0.36
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
STAT3 P40763 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4015482 0.95 CNR2 (0.43) MAPTGCKKMT2AMEN1ALDH1A1
SCHEMBL4009816 0.87 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL1619354 0.84 KMT2A (0.52) MAPTGCKKMT2AMEN1ALDH1A1
SCHEMBL1621081 0.80 GCK (0.57) MAPTGCKKMT2AMEN1ALDH1A1
SCHEMBL1620082 0.80 CNR2 (0.52) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4011458 0.77 GCK (0.51) MAPTGCKKMT2AMEN1ALDH1A1
SCHEMBL1621441 0.77 GCK (0.58) MAPTGCKKMT2AMEN1ALDH1A1
SCHEMBL1619362 0.76 GCK (0.49) MAPTGCKKMT2AMEN1ALDH1A1
SCHEMBL10217207 0.75 GCK (0.59) MAPTGCKKMT2AMEN1ALDH1A1
SCHEMBL1621245 0.74 CNR2 (0.54) MAPTKMT2AMEN1ALDH1A1RAB9A

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