SCHEMBL20169017

Cc1ccccc1N(c1ccc2ccc3c(N(c4ccccc4C)c4cc(-c5cc(N(c6ccccc6C)c6ccc7ccc8c(N(c9ccccc9C)c9cccc%10c9oc9c(C%11CCCC%11)cccc9%10)ccc9ccc6c7c98)c6oc7c(C8CCCC8)cccc7c6c5)cc5c4oc4c(C6CCCCC6)cccc45)ccc4ccc1c2c43)c1cccc2c1oc1c(C3CCCCC3)cccc12

nearest known ligand 0.32

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1B1	Q16678	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
SCHEMBL16216705	0.93	CYP1B1 (0.33)	CYP1B1
SCHEMBL16216427	0.92	CYP1B1 (0.32)	CYP1B1
SCHEMBL16216708	0.87	CASP3 (0.32)	CYP1B1
SCHEMBL21972872	0.86	CYP1B1 (0.34)	CYP1B1
SCHEMBL16216622	0.86	CASP3 (0.31)	CYP1B1
SCHEMBL16216456	0.86	CASP3 (0.30)	CYP1B1
SCHEMBL16216451	0.85	—	—
SCHEMBL21904610	0.83	CYP1B1 (0.35)	CYP1B1
SCHEMBL16216623	0.83	CYP1B1 (0.32)	CYP1B1
SCHEMBL20169053	0.83	—	—

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-9978948-B2	Ink composition, organic electroluminescence element, and electronic apparatus	JOLED INC. (JP)	2018-05-22	—	—	US	disclosed