SCHEMBL12366113

SCHEMBL12366113

[C-]#[N+]CC(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MLYCD O95822 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PLA2G1B P04054 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL12366117 0.82 HDAC1 (0.56) NPC1RAB9AALDH1A1LMNAPOLB
SCHEMBL15881788 0.81 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL4501943 0.81 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL12366208 0.81 SRC (0.57) RAB9AKMT2AALDH1A1POLB
SCHEMBL13884195 0.81 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL24713109 0.81 MLYCD (0.67) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL252486 0.80 L3MBTL1 (0.62) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL30661718 0.79 MLYCD (0.65) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL2420380 0.79 L3MBTL1 (0.68) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL249436 0.79 L3MBTL1 (0.61) L3MBTL1NPC1RAB9AMLYCDMEN1

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-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed