SCHEMBL19696341

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccc(N(c9ccccc9)c9ccc(-c%10ccc(N(c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccccc%13)cc%12)cc%11)c%11ccc(-n%12c%13ccccc%13c%13c%14oc%15c(ccc%16c%15c%15ccccc%15n%16-c%15ccc%16oc%17ccccc%17c%16c%15)c%14ccc%13%12)cc%11)cc%10)cc9)cc7n8-c7ccc(N(c8ccccc8)c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9)cc8)cc7)c6ccc54)cc3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PLA2G2A	P14555	1/20	0.31

▸	PLA2G4A	P47712	1/20	0.31

▸	MEN1	O00255	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	POLB	P06746	1/20	0.30

▸	TSHR	P16473	1/20	0.30

▸	BRCA1	P38398	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

▸	HSD17B10	Q99714	1/20	0.30

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
SCHEMBL17426401	0.98	MEN1 (0.32)	MEN1ALDH1A1POLBTSHRBRCA1
SCHEMBL17426269	0.97	PLA2G2A (0.32)	PLA2G2APLA2G4AMEN1ALDH1A1POLB
SCHEMBL17426335	0.96	PLA2G2A (0.31)	PLA2G2APLA2G4AMEN1ALDH1A1POLB
SCHEMBL17426390	0.96	MEN1 (0.32)	PLA2G2APLA2G4AMEN1ALDH1A1POLB
SCHEMBL17426296	0.94	PLA2G2A (0.35)	PLA2G2APLA2G4AMEN1ALDH1A1POLB
SCHEMBL17426433	0.93	MEN1 (0.34)	MEN1ALDH1A1POLBTSHRBRCA1
SCHEMBL17426331	0.92	PLA2G2A (0.36)	PLA2G2APLA2G4AMEN1ALDH1A1POLB
SCHEMBL17426307	0.92	MEN1 (0.31)	MEN1ALDH1A1POLBTSHRBRCA1
SCHEMBL17426273	0.92	MEN1 (0.32)	MEN1ALDH1A1POLBTSHRBRCA1
SCHEMBL17426287	0.92	PLA2G2A (0.34)	PLA2G2APLA2G4AMEN1ALDH1A1POLB

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
US-9842996-B2	Amine compound having hetero-fused ring and organic electroluminescent element using amine compound	IDEMITSU KOSAN CO., LTD. (JP)	2017-12-12	—	—	US	disclosed