SCHEMBL19940272

CC1(C)CCC(CN2CC=C(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.77

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	BCL2	P10415	19/20	0.77

▸	NSD2	O96028	1/20	0.67

▸	ADORA3	P0DMS8	1/20	0.67

▸	CYP2C9	P11712	1/20	0.67

▸	ADRA2C	P18825	1/20	0.67

▸	SLC6A2	P23975	1/20	0.67

▸	BID	P55957	1/20	0.67

▸	SLC6A3	Q01959	1/20	0.67

▸	BCL2L1	Q07817	1/20	0.67

▸	MCL1	Q07820	1/20	0.67

▸	ASPH	Q12797	1/20	0.67

▸	BCL2L2	Q92843	1/20	0.67

▸	BAD	Q92934	1/20	0.67

▸	NSD1	Q96L73	1/20	0.67

▸	NSD3	Q9BZ95	1/20	0.67

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
SCHEMBL19940263	0.95	BCL2 (0.70)	BCL2
Hydrochloric Acid SCHEMBL28679337	0.94	BCL2 (0.69)	BCL2
SCHEMBL19940325	0.94	BCL2 (0.69)	BCL2
SCHEMBL19939509	0.93	BCL2 (0.78)	BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19940326	0.92	BCL2 (0.71)	BCL2
SCHEMBL30313804	0.92	BCL2 (0.91)	BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL523310	0.92	BCL2 (0.91)	BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19940459	0.91	BCL2 (0.63)	BCL2BCL2L1
SCHEMBL28674531	0.90	BCL2 (0.74)	BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19940513	0.89	BCL2 (0.76)	BCL2NSD2ADORA3CYP2C9ADRA2C

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
WO-2018041248-A1	BCL-2 SELECTIVE INHIBITOR AND PREPARATION AND USE THEREOF	北京赛林泰医药技术有限公司	2018-03-08	—	—	WO	disclosed