SCHEMBL29112208

CC1CC(=CC=Cc2ccc(N=[N+]=[N-])cc2)C(=O)C(=CC=Cc2ccc(N=[N+]=[N-])cc2)C1.CC1CC(c2ccc(N=[N+]=[N-])cc2)C(=O)C(c2ccc(N=[N+]=[N-])cc2)C1

nearest known ligand 0.32

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NPC1	O15118	2/20	0.32

▸	MAPT	P10636	2/20	0.32

▸	RAB9A	P51151	2/20	0.32

▸	HSP90AA1	P07900	1/20	0.32

▸	MAPK1	P28482	1/20	0.32

▸	HTT	P42858	1/20	0.32

▸	KDM4E	B2RXH2	1/20	0.30

▸	MEN1	O00255	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	PKM	P14618	1/20	0.30

▸	XBP1	P17861	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

▸	SMN1; SMN2	Q16637	1/20	0.30

▸	NPSR1	Q6W5P4	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
SCHEMBL13886823	0.90	MAPT (0.38)	NPC1MAPTRAB9AHSP90AA1MAPK1
SCHEMBL18920871	0.90	MAPT (0.38)	NPC1MAPTRAB9AHSP90AA1MAPK1
SCHEMBL18920870	0.90	MAPT (0.38)	NPC1MAPTRAB9AHSP90AA1MAPK1
SCHEMBL29112199	0.80	CA1 (0.39)	—
SCHEMBL13870141	0.78	USP18 (0.37)	—
SCHEMBL13886822	0.78	CA1 (0.35)	—
SCHEMBL13870140	0.78	F10 (0.41)	—
SCHEMBL13886821	0.77	CA1 (0.34)	—
SCHEMBL28392156	0.77	TXNRD1 (0.34)	—
SCHEMBL30382557	0.76	USP18 (0.34)	MEN1KMT2A

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
CN-116880126-A	Preparation and application of branched benzocyclobutenyl polysiloxane low dielectric loss photosensitive resin	西南科技大学	2023-10-13	—	—	CN	disclosed