SCHEMBL13973006

SCHEMBL13973006

Nc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
EPHX1 P07099 2/20 0.68
GAA P10253 2/20 0.68
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
LMNA P02545 2/20 0.65
POLB P06746 1/20 0.65
PKM P14618 1/20 0.65
APEX1 P27695 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
KDM4E B2RXH2 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HTR2B P41595 1/20 0.60
NPC1 O15118 5/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
EPHX2 P34913 1/20 0.57
MAOA P21397 1/20 0.56

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
SCHEMBL3546724 0.91 RAB9A (0.70) RAB9AEPHX1GAAKMT2ALMNA
SCHEMBL12156569 0.89 RAB9A (0.67) RAB9AEPHX1GAAKMT2AMEN1
SCHEMBL13973019 0.87 HTR2B (0.62) RAB9AEPHX1GAAKMT2AMEN1
SCHEMBL12156531 0.86 RAB9A (0.62) RAB9AEPHX1GAAKMT2AMEN1
SCHEMBL28927984 0.83 RAB9A (0.64) RAB9AEPHX1KMT2AMEN1LMNA
SCHEMBL11936004 0.82 EPHX1 (0.60) RAB9AEPHX1GAAKMT2ALMNA
SCHEMBL28648060 0.82 EPHX1 (0.68) RAB9AEPHX1GAAKMT2AMEN1
SCHEMBL3442327 0.82 RAB9A (0.62) RAB9AKMT2AMEN1LMNAPOLB
SCHEMBL30583805 0.82 RAB9A (0.62) RAB9AKMT2AMEN1LMNAPOLB
SCHEMBL520877 0.82 NPC1 (0.82) RAB9AKMT2ALMNANPC1HPGD

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed