SCHEMBL20177909 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	BRD4	O60885	8/20	0.43

▸	BRD2	P25440	8/20	0.43

▸	BRD3	Q15059	8/20	0.43

▸	CA1	P00915	1/20	0.42

▸	CA2	P00918	1/20	0.42

▸	ACHE	P22303	1/20	0.42

▸	KCNQ2	O43526	1/20	0.42

▸	FPR2	P25090	5/20	0.40

▸	FPR1	P21462	2/20	0.40

▸	NPC1	O15118	1/20	0.38

▸	RAB9A	P51151	1/20	0.38

▸	NPSR1	Q6W5P4	1/20	0.37

▸	CCKBR	P32239	1/20	0.37

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
SCHEMBL20177845	0.90	BRD4 (0.47)	BRD4BRD2BRD3CA1CA2
SCHEMBL20177497	0.88	BRD4 (0.39)	BRD4BRD2BRD3CA1CA2
SCHEMBL20177557	0.83	CA1 (0.42)	BRD4BRD2BRD3CA1CA2
SCHEMBL20177491	0.82	CCKBR (0.47)	BRD4BRD2BRD3CA1CA2
SCHEMBL22068860	0.82	CA1 (0.44)	BRD4BRD2BRD3CA1CA2
SCHEMBL18270477	0.81	FPR2 (0.45)	BRD4BRD2BRD3CA1CA2
SCHEMBL18106743	0.79	CA1 (0.47)	CA1CA2ACHEKCNQ2FPR2
SCHEMBL18106745	0.79	CA1 (0.47)	CA1CA2ACHEKCNQ2FPR2
SCHEMBL20177587	0.79	CA1 (0.47)	BRD4BRD2BRD3CA1CA2
SCHEMBL29434434	0.79	CA1 (0.47)	CA1CA2ACHEKCNQ2FPR2

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
WO-2018092916-A1	NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE	宇部興産株式会社	2018-05-24	—	—	WO	disclosed