SCHEMBL3960139

SCHEMBL3960139

CC(Cc1nc(-c2ccc(Cl)cc2)cs1)(C(=O)NCC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1F)S(=O)(=O)c1ccc(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.45
ALOX5 P09917 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL1464988 0.73 CNR2 (0.70) CNR2MEN1KMT2AIDH1
SCHEMBL1465790 0.71 ABL1 (0.55) MAPTMEN1KMT2AKDM1ANPC1
SCHEMBL1463644 0.66 ABL1 (0.53) CNR2MAPTMEN1KMT2AKDM1A
SCHEMBL1466154 0.66 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM1A
SCHEMBL1465504 0.66 CNR2 (0.58) CNR2MAPTMEN1KMT2ANPC1
SCHEMBL1464344 0.64 CNR2 (1.00) CNR2MAPTIDH1
SCHEMBL12635885 0.64 KDM1A (0.52) ALOX5ALDH1A1MAPTKDM4EMEN1
SCHEMBL1464367 0.63 CNR2 (0.74) CNR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1465056 0.63 FFAR2 (0.49) CNR2
SCHEMBL13021195 0.62 RAB9A (0.59) ALOX5L3MBTL1ALDH1A1MAPTKDM4E

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