SCHEMBL8647027

SCHEMBL8647027

CCCCCCCCNc1ccc(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.51
CSNK1A1 P48729 2/20 0.51
CSNK1D P48730 2/20 0.51
CSNK1G1 Q9HCP0 2/20 0.51
FGR P09769 1/20 0.51
PIM1 P11309 1/20 0.51
MAOA P21397 1/20 0.51
DYRK1A Q13627 1/20 0.51
HIPK2 Q9H2X6 1/20 0.51
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
POLB P06746 5/20 0.49
BLM P54132 3/20 0.49
NSD2 O96028 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MMP14 P50281 2/20 0.48
TOP2B Q02880 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL11423638 0.99 ADORA2A (0.53) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL11645881 0.94 ADORA2A (0.54) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL1908099 0.92 MEN1 (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL11865193 0.92 MEN1 (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL7845898 0.92 MEN1 (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL11119733 0.92 MEN1 (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL7855739 0.92 MEN1 (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL439386 0.90 MEN1 (0.58) MEN1KMT2APOLBBLMNSD2
SCHEMBL30097103 0.90 MEN1 (0.58) MEN1KMT2APOLBBLMNSD2
SCHEMBL28287515 0.89 ADORA2A (0.58) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR

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-0862057-A1 Analysis of St John's Wort's content Agon Pharma GmbH (DE) 1998-09-02 EP disclosed
EP-0862057-A1 Analysis of St John's Wort's content Agon Pharma GmbH (DE) 1998-09-02 EP disclosed