SCHEMBL23052280 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2C9	P11712	1/20	0.41

▸	CNR1	P21554	6/20	0.39

▸	CNR2	P34972	6/20	0.39

▸	CA1	P00915	1/20	0.37

▸	CA2	P00918	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.34

▸	BIRC2	Q13490	2/20	0.34

▸	MMP2	P08253	5/20	0.33

▸	MMP3	P08254	5/20	0.33

▸	MMP1	P03956	3/20	0.33

▸	MMP7	P09237	1/20	0.33

▸	PDF	Q9HBH1	1/20	0.33

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
SCHEMBL1057510	0.82	CNR1 (0.36)	CNR1CNR2CA1CA2SMN1; SMN2
SCHEMBL12534123	0.78	MCL1 (0.42)	CNR1CNR2
SCHEMBL1629961	0.78	MCL1 (0.42)	CNR1CNR2
SCHEMBL17169993	0.78	CA1 (0.34)	CYP2C9CNR1CNR2CA1CA2
SCHEMBL12401401	0.78	CYP2C9 (0.42)	CYP2C9SMN1; SMN2MMP2MMP3MMP1
SCHEMBL19174545	0.77	SMN1; SMN2 (0.38)	CNR1CNR2CA1CA2SMN1; SMN2
SCHEMBL30931381	0.77	SMN1; SMN2 (0.38)	CNR1CNR2CA1CA2SMN1; SMN2
SCHEMBL8212605	0.77	SMN1; SMN2 (0.38)	CNR1CNR2CA1CA2SMN1; SMN2
SCHEMBL28697984	0.77	SMN1; SMN2 (0.38)	CNR1CNR2CA1CA2SMN1; SMN2
SCHEMBL30170128	0.77	CNR1 (0.36)	CNR1CNR2CA1CA2

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-2021038426-A1	SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE	NOVARTIS AG (CH)	2021-03-04	—	—	WO	disclosed