SCHEMBL9827460

SCHEMBL9827460

CC1(C)C=C(n2ccc(-c3ccc([N+](=O)[O-])cc3)cc2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
KCNJ1 P48048 2/20 0.32
KCNH2 Q12809 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PGR P06401 4/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
RAD51 Q06609 1/20 0.30
THRB P10828 1/20 0.30
VCAM1 P19320 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL9603012 0.87 PDE4A (0.41) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9596470 0.87 PDE4A (0.41) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL7266970 0.84 ABCC9 (0.41) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL7269375 0.79 PDE4A (0.42) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9300736 0.79 PDE4A (0.41) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9220838 0.79 PDE4A (0.41) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL8088661 0.79 PDE4A (0.47) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9300253 0.79 PDE4A (0.40) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL7277069 0.78 PDE4A (0.39) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL8088704 0.78 ABCC9 (0.40) ABCC9PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413438-A1 Benzopyran compounds Beecham Group p.l.c. (GB) 1991-02-20 EP claimed
EP-0413438-A1 Benzopyran compounds Beecham Group p.l.c. (GB) 1991-02-20 EP disclosed