SCHEMBL25037880

N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccccc5-c5cc6c7c(cccc7c5)-c5ccccc5-6)c(C#N)c4)c3)n2)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	XDH	P47989	8/20	0.40

▸	GRM5	P41594	1/20	0.37

▸	ALDH1A1	P00352	2/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	RXFP1	Q9HBX9	1/20	0.34

▸	LMNA	P02545	1/20	0.34

▸	THRB	P10828	1/20	0.34

▸	TRPA1	O75762	1/20	0.34

▸	CYP19A1	P11511	1/20	0.33

▸	CYP1A2	P05177	1/20	0.33

▸	CYP2C9	P11712	1/20	0.33

▸	CYP2C19	P33261	1/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.33

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
SCHEMBL25038473	0.94	XDH (0.38)	XDHGRM5ALDH1A1KDM4ELMNA
SCHEMBL25037883	0.92	XDH (0.39)	XDHGRM5ALDH1A1KDM4EHTT
SCHEMBL25038498	0.91	XDH (0.39)	XDHGRM5ALDH1A1KDM4EHTT
SCHEMBL25038647	0.91	ABCG2 (0.39)	XDH
SCHEMBL25038583	0.90	XDH (0.41)	XDHGRM5ALDH1A1KDM4EHTT
SCHEMBL25038620	0.90	XDH (0.42)	XDHGRM5ALDH1A1KDM4EHTT
SCHEMBL25038646	0.89	XDH (0.45)	XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL25036072	0.89	XDH (0.38)	XDHGRM5ALDH1A1KDM4EHTT
SCHEMBL25038633	0.89	XDH (0.43)	XDHGRM5ALDH1A1KDM4ELMNA
SCHEMBL25774993	0.88	XDH (0.43)	XDHGRM5ALDH1A1KDM4EHTT

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-2023018267-A1	NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME	주식회사 엘지화학	2023-02-16	—	—	WO	disclosed