SCHEMBL3963567

SCHEMBL3963567

CC(C)(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1ccc2ccccc2n1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)S(=O)(=O)c1ccc(Cl)cc1.Cc1sc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.50
▸ MAPT P10636 8/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ VCP P55072 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ USP2 O75604 2/20 0.39
▸ USP8 P40818 2/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL3962868 0.79 CNR2 (0.43) CNR2MAPTKDM4EMEN1KMT2A
SCHEMBL1465768 0.75 CNR2 (0.59) CNR2MAPTKDM4EMEN1KMT2A
SCHEMBL1464341 0.74 ALDH1A1 (0.58) CNR2MAPTMEN1KMT2AMAPK1
SCHEMBL1464404 0.72 KDM1A (0.60) CNR2MAPTMEN1KMT2AMAPK1
SCHEMBL1465740 0.71 ABL1 (0.62) CNR2MAPTMEN1KMT2AKDM1A
SCHEMBL3962808 0.71 CNR2 (0.55) CNR2MAPTKDM4EMEN1KMT2A
SCHEMBL1463680 0.71 CNR2 (0.64) CNR2CNR1
SCHEMBL1464492 0.71 CNR2 (1.00) CNR2MAPTKDM4EMEN1KMT2A
SCHEMBL1465767 0.70 ALDH1A1 (0.55) CNR2KDM4ENPSR1CNR1ALDH1A1
SCHEMBL1464724 0.70 KDM1A (0.62) CNR2MAPTMEN1KMT2APOLB

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