SCHEMBL3476539

SCHEMBL3476539

CC(=O)Nc1ccc(-c2ccc3oc(Nc4ccccc4)nc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
POLB P06746 4/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
DGAT1 O75907 1/20 0.58
FAAH O00519 2/20 0.57
HDAC6 Q9UBN7 3/20 0.57
IL6 P05231 1/20 0.54
STAT3 P40763 1/20 0.54
UTRN P46939 1/20 0.54
CASP3 P42574 3/20 0.53
SENP7 Q9BQF6 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL3475420 0.84 HDAC6 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2DGAT1
SCHEMBL3475856 0.82 FAAH (0.65) NPC1RAB9AALDH1A1SMN1; SMN2DGAT1
SCHEMBL3475208 0.82 FAAH (0.61) NPC1RAB9AALDH1A1SMN1; SMN2DGAT1
SCHEMBL3476446 0.80 FAAH (0.61) NPC1RAB9AALDH1A1SMN1; SMN2DGAT1
SCHEMBL13436702 0.80 FAAH (0.61) NPC1RAB9AALDH1A1SMN1; SMN2DGAT1
SCHEMBL3474216 0.80 FAAH (0.62) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3476903 0.80 HDAC6 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2DGAT1
SCHEMBL13436641 0.80 FAAH (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3476611 0.79 FAAH (0.61) NPC1RAB9AALDH1A1SMN1; SMN2DGAT1
SCHEMBL3476893 0.79 DGAT1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2DGAT1

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