SCHEMBL18697107

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5cccc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc(-c%10ccccc%10-c%10ccccc%10)cc9)c9ccc%10c(c9)C(C)(C)c9cc(-c%11cccc%12c%11sc%11ccccc%11%12)ccc9-%10)ccc7-8)cc6)c5)c4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5sc5ccccc56)ccc3-4)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ALOX5	P09917	1/20	0.44

▸	PRKDC	P78527	1/20	0.35

▸	PARP14	Q460N5	1/20	0.33

▸	F9	P00740	1/20	0.32

▸	PDK2	Q15119	1/20	0.31

▸	TNKS	O95271	1/20	0.30

▸	TNKS2	Q9H2K2	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
SCHEMBL9916779	0.99	ALOX5 (0.45)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL18697132	0.98	ALOX5 (0.42)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL17126733	0.98	ALOX5 (0.46)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL9916776	0.98	ALOX5 (0.43)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL9916760	0.98	ALOX5 (0.43)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL9916768	0.98	ALOX5 (0.43)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL17126737	0.98	ALOX5 (0.46)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL9916761	0.98	ALOX5 (0.43)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL9916780	0.98	ALOX5 (0.46)	ALOX5PRKDCPARP14F9PDK2
SCHEMBL12960012	0.97	ALOX5 (0.42)	ALOX5PRKDCPARP14F9PDK2

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-9614160-B2	Aromatic amine derivatives and organic electroluminescent elements using same	IDEMITSU KOSAN CO., LTD. (JP)	2017-04-04	—	—	US	disclosed