SCHEMBL11716004

SCHEMBL11716004

Nc1ccc(COc2ccc3c(c2)oc2ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.59
MAOA P21397 3/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACHE P22303 3/20 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
SCHEMBL9615129 0.79 LMNA (0.64) MAOBMAOACA12CA1CA2
SCHEMBL26768570 0.78 MAOB (0.79) MAOBMAOACA12CA1CA2
SCHEMBL30629188 0.78 MAOB (0.79) MAOBMAOACA12CA1CA2
SCHEMBL7105478 0.76 XDH (0.53) MAOAMAPTKDM4EMEN1ALDH1A1
SCHEMBL28331280 0.75 MAOB (0.64) MAOBMAOACA12RAB9AACHE
SCHEMBL7245118 0.75 NPC1 (0.51) MAOBMAOAMAPTKDM4EMEN1
SCHEMBL9350122 0.75 MAOB (0.72) MAOBMAOACA12CA1CA2
SCHEMBL30629178 0.74 MAOB (1.00) MAOBMAOACA12CA1CA2
SCHEMBL483639 0.74 MAPT (0.96) MAOACA12CA1MAPTKDM4E
SCHEMBL31261599 0.74 MAPT (0.96) MAOACA12CA1MAPTKDM4E

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-4048151-A AZO DYES, NITROGEN HETEROCYCLES, POLYMERS SANDOZ LTD. (CH) 1977-09-13 US disclosed