SCHEMBL25658989

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2-c2ccc(C#N)cc2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.35

▸	CYP2A6	P11509	1/20	0.35

▸	KDM1A	O60341	12/20	0.35

▸	GRM2	Q14416	1/20	0.34

▸	CYP11B2	P19099	2/20	0.33

▸	CYP11B1	P15538	1/20	0.33

▸	CHEK1	O14757	1/20	0.33

▸	NSD2	O96028	2/20	0.32

▸	MAPKAPK2	P49137	1/20	0.32

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
SCHEMBL21414252	0.93	ALDH1A1 (0.32)	ALDH1A1CYP2A6KDM1ACYP11B2CYP11B1
SCHEMBL19909500	0.91	CYP11B1 (0.38)	CYP11B2CYP11B1
SCHEMBL21928591	0.90	CYP11B2 (0.39)	KDM1AGRM2CYP11B2CYP11B1CHEK1
SCHEMBL21546982	0.90	ELANE (0.36)	ALDH1A1CHEK1
SCHEMBL21414141	0.88	PDE9A (0.35)	ALDH1A1
SCHEMBL26776915	0.88	EGLN2 (0.36)	KDM1ACYP11B2CYP11B1
SCHEMBL19909070	0.86	CYP11B1 (0.35)	ALDH1A1CYP11B2CYP11B1
SCHEMBL25658982	0.86	ALDH1A1 (0.43)	ALDH1A1CYP2A6KDM1ACYP11B2CYP11B1
SCHEMBL21546947	0.86	ELANE (0.36)	ALDH1A1CHEK1
SCHEMBL22564345	0.86	RXRA (0.36)	—

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
EP-3585777-B1	ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES	SAMSUNG DISPLAY CO LTD (KR)	2023-05-10	—	—	EP	disclosed