SCHEMBL18924109

SCHEMBL18924109

COc1c2nc3ccc(OCc4ccccc4)cc3oc-2c(C)c(=O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.49
ACHE P22303 3/20 0.49
APP P05067 2/20 0.48
MAOA P21397 7/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
MTNR1A P48039 1/20 0.46
KMT2A Q03164 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL18924108 0.92 MAOB (0.47) MAOBACHEMAOANPC1MEN1
SCHEMBL18924102 0.87 MAOB (0.53) MAOBACHEAPPMAOANPC1
SCHEMBL16069604 0.86 APP (0.49) APPMEN1CA12CA1CA4
SCHEMBL16069538 0.85 APP (0.48) APPMEN1CA12CA1CA3
SCHEMBL16069649 0.84 CA12 (0.45) MAOBAPPMAOACA12CA1
SCHEMBL18924100 0.82 MAOB (0.52) MAOBACHEAPPMAOANPC1
SCHEMBL17523138 0.80 APP (0.49) APPMEN1CA12CA1CA4
SCHEMBL18924099 0.79 MAOB (0.50) MAOBACHEMAOANPC1MEN1
SCHEMBL16069530 0.79 MAPT (0.42) MAOBNPC1MEN1KMT2ARAB9A
SCHEMBL16075040 0.79 MAPT (0.47) NPC1MEN1KMT2ARAB9ATDP1

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