SCHEMBL9367808

CC1(C)CC(CCCCNc2nc(NCCCCCCNc3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)nc(NCCCCC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TSHR	P16473	1/20	0.36

▸	KMT2A	Q03164	1/20	0.35

▸	KCNH3	Q9ULD8	3/20	0.32

▸	GAA	P10253	2/20	0.31

▸	KDM4E	B2RXH2	1/20	0.31

▸	LMNA	P02545	1/20	0.31

▸	SLC2A1	P11166	1/20	0.31

▸	SIGMAR1	Q99720	1/20	0.31

▸	DNM2	P50570	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
SCHEMBL11168811	0.98	TSHR (0.36)	TSHRKMT2AKCNH3GAAKDM4E
SCHEMBL10650353	0.94	TSHR (0.39)	TSHRKMT2AKCNH3GAAKDM4E
SCHEMBL3145074	0.93	KMT2A (0.46)	TSHRKMT2ALMNA
SCHEMBL10910185	0.93	KMT2A (0.40)	TSHRKMT2AKCNH3KDM4E
SCHEMBL10811647	0.93	KMT2A (0.46)	TSHRKMT2ALMNA
SCHEMBL9524836	0.93	TSHR (0.35)	TSHRKMT2AKCNH3
SCHEMBL11236048	0.93	KMT2A (0.46)	TSHRKMT2ALMNA
SCHEMBL10814703	0.93	KMT2A (0.46)	TSHRKMT2ALMNA
SCHEMBL711949	0.91	KMT2A (0.43)	TSHRKMT2ALMNA
SCHEMBL9861681	0.91	KCNH3 (0.38)	TSHRKMT2AKCNH3GAAKDM4E

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-0319480-B1	Process for the methylation of triazine compounds containing 2,2,6,6-tetramethylpiperidine groups	CIBA GEIGY AG (CH)	1994-01-26	—	—	EP	disclosed
US-5130429-A	Methylation with formaldehyde in a solvent and distillation	CIBA-GEIGY CORPORATION (US)	1992-07-14	—	—	US	disclosed