SCHEMBL13436686

SCHEMBL13436686

CC(O)c1ccccc1-c1ccc2oc(Nc3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
HDAC6 Q9UBN7 3/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DGAT1 O75907 1/20 0.47
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
IL6 P05231 1/20 0.43
STAT3 P40763 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ROCK1 Q13464 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
SCHEMBL13436641 0.83 FAAH (0.58) FAAHHDAC6NPC1GAARAB9A
SCHEMBL13436687 0.79 FAAH (0.59) FAAHHDAC6
SCHEMBL3475836 0.79 NPC1 (0.56) FAAHHDAC6NPC1GAARAB9A
SCHEMBL3476760 0.79 FAAH (0.56) FAAHHDAC6NPC1GAARAB9A
SCHEMBL3475389 0.79 FAAH (0.53) FAAHHDAC6NPC1GAARAB9A
SCHEMBL3475208 0.76 FAAH (0.61) FAAHHDAC6NPC1GAARAB9A
SCHEMBL3475856 0.76 FAAH (0.65) FAAHHDAC6NPC1GAARAB9A
SCHEMBL3475433 0.75 FAAH (0.57) FAAHHDAC6NPC1GAARAB9A
SCHEMBL13436714 0.75 FAAH (0.60) FAAHHDAC6NPC1GAARAB9A
SCHEMBL13436702 0.74 FAAH (0.61) FAAHHDAC6NPC1GAARAB9A

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
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed