SCHEMBL3963536

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2)n1.Cc1nc(C(N)=O)sc1C(C)(C)C.O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CNR2	P34972	11/20	0.44

▸	CNR1	P21554	6/20	0.44

▸	KDM1A	O60341	1/20	0.32

▸	MAPT	P10636	5/20	0.32

▸	KDM4E	B2RXH2	2/20	0.32

▸	NPSR1	Q6W5P4	1/20	0.32

▸	MEN1	O00255	2/20	0.30

▸	KMT2A	Q03164	2/20	0.30

▸	GAA	P10253	1/20	0.30

▸	TSHR	P16473	1/20	0.30

▸	MAPK1	P28482	1/20	0.30

▸	LMNA	P02545	1/20	0.30

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.

Compound	similarity	top predicted	shared targets
SCHEMBL3966620	0.92	CNR2 (0.52)	CNR2CNR1KDM1AMAPTKDM4E
SCHEMBL3962999	0.91	CNR2 (0.51)	CNR2CNR1KDM1AMAPTKDM4E
SCHEMBL3965017	0.84	CNR2 (0.49)	CNR2CNR1MAPTKDM4ENPSR1
SCHEMBL3964901	0.84	CNR2 (0.52)	CNR2CNR1KDM1AMAPTKDM4E
SCHEMBL3959609	0.84	CNR2 (0.40)	CNR2CNR1
SCHEMBL3959616	0.78	CNR2 (0.41)	CNR2CNR1KDM1A
SCHEMBL3965021	0.77	CNR2 (0.50)	CNR2CNR1MAPTKDM4ENPSR1
SCHEMBL3959680	0.77	CNR2 (0.38)	CNR2CNR1MAPT
SCHEMBL3962941	0.74	CNR2 (0.51)	CNR2CNR1MAPTKMT2AGAA
SCHEMBL3959810	0.73	CNR2 (0.58)	CNR2CNR1MAPTMEN1KMT2A

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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