SCHEMBL935843

CC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)N[C@H](C)C#N)c3)no2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PRKD1	Q15139	14/20	1.00

▸	PRKD3	O94806	1/20	0.73

▸	PRKD2	Q9BZL6	1/20	0.73

▸	PPARG	P37231	2/20	0.41

▸	PPARA	Q07869	2/20	0.41

▸	NPC1	O15118	2/20	0.40

▸	ALDH1A1	P00352	2/20	0.40

▸	RAB9A	P51151	2/20	0.40

▸	SMN1; SMN2	Q16637	2/20	0.40

▸	HTT	P42858	1/20	0.40

▸	MLLT1	Q03111	1/20	0.39

▸	CTSL	P07711	1/20	0.38

▸	CTSB	P07858	1/20	0.38

▸	CTSS	P25774	1/20	0.38

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
SCHEMBL935844	1.00	PRKD1 (1.00)	PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936642	0.92	PRKD1 (0.85)	PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936644	0.92	PRKD1 (0.85)	PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL935976	0.90	PRKD1 (0.82)	PRKD1PRKD3PRKD2
SCHEMBL936497	0.90	PRKD1 (0.82)	PRKD1PRKD3PRKD2
SCHEMBL936499	0.90	PRKD1 (0.82)	PRKD1PRKD3PRKD2
SCHEMBL6923923	0.90	PRKD1 (0.82)	PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL938421	0.89	PRKD1 (0.81)	PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL938420	0.89	PRKD1 (0.81)	PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL6922606	0.88	PRKD1 (0.78)	PRKD1PRKD3PRKD2PPARGPPARA

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-2011009484-A1	ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS	NOVARTIS AG (CH)	2011-01-27	—	—	WO	disclosed