SCHEMBL17907485

SCHEMBL17907485

COCOc1cccc(OCc2ccc(F)cc2)c1C(=O)C=Cc1nc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTB4R Q15722 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PPARA Q07869 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL754366 0.83 MAPT (0.46) MAOBKMT2AMEN1ALDH1A1
SCHEMBL17907484 0.82 BACE1 (0.37) MAOBKMT2AMEN1POLBPKM
SCHEMBL754365 0.73 PPARG (0.49) MAOBKMT2AMEN1POLBPKM
SCHEMBL754649 0.71 MAOB (0.49) MAOB
SCHEMBL25190860 0.65 SLC5A1 (0.61) MAOBNFKB1NFKB2RELAKMT2A
SCHEMBL31088177 0.65 BACE1 (0.56) MAOBKMT2AMEN1RAB9ANPC1
SCHEMBL31088175 0.65 BACE1 (0.56) MAOBKMT2AMEN1RAB9ANPC1
SCHEMBL25205681 0.63 NFKB1 (0.63) MAOBNFKB1NFKB2RELAKMT2A
SCHEMBL30383093 0.63 NFKB1 (0.63) MAOBNFKB1NFKB2RELAKMT2A
SCHEMBL25205679 0.63 NFKB1 (0.63) MAOBNFKB1NFKB2RELAKMT2A

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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed