SCHEMBL6981564

CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.51

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1	O00255	2/20	0.51

▸	LMNA	P02545	2/20	0.51

▸	MAPT	P10636	2/20	0.51

▸	THRB	P10828	2/20	0.51

▸	HTT	P42858	2/20	0.51

▸	RECQL	P46063	2/20	0.51

▸	KMT2A	Q03164	2/20	0.51

▸	TDP1	Q9NUW8	2/20	0.51

▸	KDM4E	B2RXH2	1/20	0.34

▸	APEX1	P27695	1/20	0.34

▸	LPL	P06858	1/20	0.33

▸	LIPG	Q9Y5X9	1/20	0.33

▸	CA1	P00915	1/20	0.33

▸	CA2	P00918	1/20	0.33

▸	CA9	Q16790	1/20	0.33

▸	ESR1	P03372	1/20	0.31

▸	ESR2	Q92731	1/20	0.31

▸	CHRNB2	P17787	1/20	0.31

▸	CHRNB4	P30926	1/20	0.31

▸	CHRNA3	P32297	1/20	0.31

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
SCHEMBL5850349	0.90	MEN1 (0.53)	MEN1LMNAMAPTTHRBHTT
SCHEMBL6980717	0.89	MEN1 (0.55)	MEN1LMNAMAPTTHRBHTT
SCHEMBL6976299	0.85	MEN1 (0.48)	MEN1LMNAMAPTTHRBHTT
SCHEMBL6980947	0.84	MEN1 (0.58)	MEN1LMNAMAPTTHRBHTT
SCHEMBL6979947	0.80	MEN1 (0.53)	MEN1LMNAMAPTTHRBHTT
SCHEMBL5850212	0.80	MEN1 (0.58)	MEN1LMNAMAPTTHRBHTT
SCHEMBL5850405	0.79	MEN1 (0.51)	MEN1LMNAMAPTTHRBHTT
SCHEMBL6979491	0.77	MEN1 (0.44)	MEN1LMNAMAPTTHRBHTT
SCHEMBL6976828	0.77	MEN1 (0.46)	MEN1LMNAMAPTTHRBHTT
SCHEMBL5850333	0.75	MEN1 (0.50)	MEN1LMNAMAPTTHRBHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1280773-A1	5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES	Wella Aktiengesellschaft (DE)	2003-02-05	—	—	EP	disclosed
WO-2002085854-A1	5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES	WELLA AKTIENGESELLSCHAFT (DE)	2002-10-31	—	—	WO	disclosed