SCHEMBL29131196

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.86

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	BCL2	P10415	19/20	0.86

▸	BCL2L1	Q07817	13/20	0.86

▸	NSD2	O96028	1/20	0.76

▸	ADORA3	P0DMS8	1/20	0.76

▸	CYP2C9	P11712	1/20	0.76

▸	ADRA2C	P18825	1/20	0.76

▸	SLC6A2	P23975	1/20	0.76

▸	BID	P55957	1/20	0.76

▸	SLC6A3	Q01959	1/20	0.76

▸	MCL1	Q07820	1/20	0.76

▸	ASPH	Q12797	1/20	0.76

▸	BCL2L2	Q92843	1/20	0.76

▸	BAD	Q92934	1/20	0.76

▸	NSD1	Q96L73	1/20	0.76

▸	NSD3	Q9BZ95	1/20	0.76

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
SCHEMBL1701494	0.94	BCL2 (0.86)	BCL2BCL2L1NSD2ADORA3CYP2C9
SCHEMBL32663545	0.94	BCL2 (0.86)	BCL2BCL2L1NSD2ADORA3CYP2C9
SCHEMBL29131188	0.93	BCL2 (1.00)	BCL2BCL2L1NSD2ADORA3CYP2C9
SCHEMBL29131195	0.93	BCL2 (1.00)	BCL2BCL2L1
SCHEMBL29131191	0.92	BCL2 (1.00)	BCL2BCL2L1
SCHEMBL29131218	0.92	BCL2 (0.95)	BCL2BCL2L1
SCHEMBL29131194	0.91	BCL2 (0.90)	BCL2BCL2L1NSD2ADORA3CYP2C9
SCHEMBL29131199	0.91	BCL2 (0.95)	BCL2BCL2L1
SCHEMBL29463352	0.91	BCL2 (0.71)	BCL2BCL2L1NSD2ADORA3CYP2C9
SCHEMBL21412867	0.90	BCL2 (0.82)	BCL2BCL2L1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114369094-B	Trifluoromethyl substituted sulfonamide selective BCL-2 inhibitors	正大天晴药业集团股份有限公司	2023-09-29	—	—	CN	disclosed