SCHEMBL30517822 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	EHMT2	Q96KQ7	5/20	0.43

▸	KAT2B	Q92831	10/20	0.42

▸	BPTF	Q12830	1/20	0.42

▸	NLRP3	Q96P20	3/20	0.38

▸	EHMT1	Q9H9B1	1/20	0.38

▸	CDK12	Q9NYV4	2/20	0.37

▸	CCNT1	O60563	1/20	0.37

▸	CCNK	O75909	1/20	0.37

▸	CCNE1	P24864	1/20	0.37

▸	CDK2	P24941	1/20	0.37

▸	CDK9	P50750	1/20	0.37

▸	IL1B	P01584	2/20	0.36

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
SCHEMBL30517804	0.89	EHMT2 (0.43)	EHMT2KAT2BBPTFNLRP3EHMT1
SCHEMBL30517783	0.83	KAT2B (0.44)	KAT2BBPTFNLRP3CDK12CCNT1
SCHEMBL30517809	0.76	KAT2B (0.45)	KAT2BBPTFNLRP3CDK12CCNT1
SCHEMBL30517829	0.72	NLRP3 (0.49)	KAT2BBPTFNLRP3IL1B
SCHEMBL30101125	0.72	KAT2B (0.42)	EHMT2KAT2BBPTFNLRP3IL1B
SCHEMBL30101082	0.72	KAT2B (0.42)	EHMT2KAT2BBPTFNLRP3IL1B
SCHEMBL30517799	0.71	KAT2B (0.45)	EHMT2KAT2BBPTFNLRP3CDK12
SCHEMBL25294680	0.69	KAT2B (0.41)	KAT2BBPTFNLRP3IL1B
SCHEMBL25294649	0.69	KAT2B (0.45)	KAT2BBPTFNLRP3CDK12CCNT1
SCHEMBL25294648	0.69	KAT2B (0.45)	KAT2BBPTFNLRP3CDK12CCNT1

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-2023131277-A1	NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF	药捷安康(南京)科技股份有限公司	2023-07-13	—	—	WO	disclosed