SCHEMBL13822181

SCHEMBL13822181

C[n+]1c(/C=C/c2ccc(-n3ccnc3)cc2)cccc1/C=C/c1ccc(-n2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.49
▸ PDE3A Q14432 3/20 0.49
▸ MAOB P27338 3/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP11B1 P15538 2/20 0.46
▸ CYP17A1 P05093 1/20 0.46
▸ CYP21A2 P08686 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ENPP2 Q13822 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ NOTUM Q6P988 1/20 0.45
▸ BAZ2B Q9UIF8 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10069211 0.85 MAOB (0.51) PDE3BPDE3AMAOBCYP3A4MEN1
SCHEMBL10069208 0.82 MAOB (0.46) PDE3BPDE3AMAOBCYP3A4MEN1
SCHEMBL13126841 0.82 ACHE (0.40) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL8392726 0.80 CYP3A4 (0.69) PDE3BPDE3AMAOBCYP3A4MEN1
SCHEMBL2604923 0.80 CYP3A4 (0.69) PDE3BPDE3AMAOBCYP3A4MEN1
SCHEMBL13127033 0.79 MAOB (0.43) PDE3BPDE3AMAOBCYP3A4MEN1
SCHEMBL13126938 0.78 CYP3A4 (0.51) PDE3BPDE3AMAOBCYP3A4MEN1
SCHEMBL6847884 0.73 MAPT (0.55) PDE3BPDE3AMAOBCYP3A4MEN1
SCHEMBL7295758 0.73 MAPT (0.55) PDE3BPDE3AMAOBCYP3A4MEN1
SCHEMBL3144052 0.73 MAPT (0.58) PDE3BPDE3AMAOBCYP3A4MEN1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 — — US disclosed
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