SCHEMBL18924108

SCHEMBL18924108

COc1c2nc3cc(OCc4ccccc4)ccc3oc-2c(C)c(=O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.47
ACHE P22303 3/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 6/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
MTNR1A P48039 1/20 0.44
KMT2A Q03164 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL18924109 0.92 MAOB (0.49) MAOBACHEPKML3MBTL1MAOA
SCHEMBL18924099 0.87 MAOB (0.50) MAOBACHEPKML3MBTL1MAOA
SCHEMBL16069637 0.84 CA12 (0.43) MAOBMAOACA12CA1CA2
SCHEMBL18924103 0.82 PKM (0.51) MAOBACHEPKML3MBTL1MAOA
SCHEMBL18924102 0.79 MAOB (0.53) MAOBACHEPKML3MBTL1MAOA
SCHEMBL16069650 0.79 HPGD (0.48) MAOBL3MBTL1NPC1MEN1KMT2A
SCHEMBL16075040 0.79 MAPT (0.47) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL19772657 0.78 NPC1 (0.43) MAOBACHEMAOANPC1CA12
SCHEMBL16069604 0.78 APP (0.49) MEN1CA12CA1CA4CA6
SCHEMBL19772655 0.76 CYP3A4 (0.54) MAOBACHEL3MBTL1MAOANPC1

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-9670170-B2 Resorufin derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2017-06-06 US disclosed