SCHEMBL18924100

SCHEMBL18924100

Cc1cc(=O)c(C)c2oc3cc(OCc4ccccc4)ccc3nc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
ACHE P22303 5/20 0.52
MAOA P21397 6/20 0.51
NPC1 O15118 2/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
MTNR1A P48039 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL18924103 0.91 PKM (0.51) MAOBACHEMAOANPC1CASP3
SCHEMBL18924102 0.86 MAOB (0.53) MAOBACHEMAOANPC1CASP3
SCHEMBL16069655 0.83 CA12 (0.48) CA12CA1CA2CA3CA4
SCHEMBL18924109 0.82 MAOB (0.49) MAOBACHEMAOANPC1CASP3
SCHEMBL22871588 0.77 MAOB (0.55) MAOBACHEMAOANPC1CASP3
SCHEMBL16069697 0.77 MAPT (0.49) MAOANPC1CASP3RAB9ASENP8
SCHEMBL18924099 0.77 MAOB (0.50) MAOBACHEMAOANPC1CASP3
SCHEMBL18924241 0.76 CA12 (0.50) NPC1RAB9ACA12CA1CA9
SCHEMBL18924240 0.76 ESR1 (0.47) MAOBNPC1RAB9ATDP1CA12
SCHEMBL19772613 0.76 CYP3A4 (0.56) MAOBACHEMAOANPC1CASP3

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