SCHEMBL16623286

SCHEMBL16623286

Cc1cc(=O)oc2cc(OCc3ccc(N(N)C(=O)OCc4cccc5ccccc45)cc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.56
MAOA P21397 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
HPGD P15428 5/20 0.54
GAA P10253 4/20 0.54
OPRK1 P41145 1/20 0.54
ACHE P22303 7/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
AR P10275 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52

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
SCHEMBL11886594 0.85 MAOB (0.71) MAOBMAOANPC1RAB9ACASP3
SCHEMBL122581 0.83 ALDH1A1 (0.60) MAOBMAOANPC1RAB9ACASP3
SCHEMBL123187 0.82 MAOB (0.68) MAOBMAOANPC1RAB9ACASP3
SCHEMBL22668940 0.79 NPC1 (0.57) MAOBMAOANPC1RAB9ACASP3
SCHEMBL120325 0.75 MAOB (0.77) MAOBMAOANPC1RAB9ACASP3
SCHEMBL29382160 0.74 MAOB (1.00) MAOBMAOANPC1RAB9ACASP3
SCHEMBL107774 0.74 MAOB (1.00) MAOBMAOANPC1RAB9ACASP3
SCHEMBL16623269 0.74 ALDH1A1 (0.42) MAOBMAOANPC1RAB9ACASP3
SCHEMBL16334580 0.72 NPC1 (0.83) MAOBMAOANPC1RAB9ACASP3
SCHEMBL121373 0.72 NPC1 (0.67) MAOBNPC1RAB9ACASP3SENP8

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
EP-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed