SCHEMBL3478427

SCHEMBL3478427

C1=CCCC(C2=COC=C(c3ccc4oc(Nc5ccccc5)nc4c3)O2)=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 5/20 0.45
DGAT1 O75907 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
ROCK1 Q13464 2/20 0.36
PLK4 O00444 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKCG P05129 1/20 0.35
INSR P06213 1/20 0.35

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
SCHEMBL3502547 0.69 NFKB1 (0.47) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL979608 0.68 MAOA (0.33) MAP4K4
SCHEMBL2271251 0.68 ACLY (0.42) NPC1RAB9APKMMEN1KMT2A
SCHEMBL3475208 0.68 FAAH (0.61) NPC1RAB9AGAAALDH1A1PKM
SCHEMBL3476446 0.68 FAAH (0.61) NPC1RAB9AGAAALDH1A1PKM
SCHEMBL3475856 0.68 FAAH (0.65) NPC1RAB9AGAAALDH1A1PKM
SCHEMBL13436702 0.68 FAAH (0.61) NPC1RAB9AGAAALDH1A1PKM
SCHEMBL3474216 0.68 FAAH (0.62) NPC1RAB9AGAAALDH1A1PKM
SCHEMBL3277936 0.67
SCHEMBL3475760 0.67 FAAH (0.60) NPC1RAB9AGAAALDH1A1PKM

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