SCHEMBL13709429

C=C(/C=C\C(=C/C)N(c1ccccc1)c1ccc2ccccc2c1)N(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	3/20	0.36

▸	LMNA	P02545	2/20	0.36

▸	TP53	P04637	1/20	0.36

▸	NR1H4	Q96RI1	1/20	0.32

▸	MEN1	O00255	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	ESR1	P03372	1/20	0.32

▸	ESR2	Q92731	1/20	0.32

▸	TSHR	P16473	1/20	0.32

▸	HTT	P42858	1/20	0.32

▸	NPSR1	Q6W5P4	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.32

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
SCHEMBL26442696	0.91	ALDH1A1 (0.40)	ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL23586325	0.88	ESR1 (0.36)	ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL19311818	0.85	ALDH1A1 (0.36)	ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL25613394	0.85	ALDH1A1 (0.36)	ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL21563899	0.85	PTGIR (0.33)	ALDH1A1HTT
SCHEMBL18884629	0.85	PTGIR (0.33)	ALDH1A1HTT
SCHEMBL18533905	0.85	PIN1 (0.35)	ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL19867987	0.84	ALDH1A1 (0.36)	ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL20859796	0.81	NR1H4 (0.36)	ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL21444319	0.80	MEN1 (0.37)	ALDH1A1LMNATP53NR1H4MEN1

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
EP-2096690-A2	Organic electroluminescence device	FUJIFILM Corporation (JP)	2009-09-02	—	—	EP	disclosed