SCHEMBL20907490

SCHEMBL20907490

CCOc1ccc(N2CCN(C)CC(C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
BACE1 P56817 1/20 0.48
CACNA2D1 P54289 4/20 0.45
GAA P10253 2/20 0.45
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
MAP4K1 Q92918 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
APP P05067 1/20 0.43
ALOX15 P16050 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
SCHEMBL8363117 0.82 KMT2A (0.66) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL27363642 0.79 MAPT (0.65) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL20907482 0.77 MAPT (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL18773677 0.77 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5274705 0.75 MAPT (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2246615 0.75 MAPT (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL20907358 0.72 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL4724848 0.72 MAPT (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23744796 0.72 MAPT (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11503962 0.71 MAPT (0.65) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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
WO-2019073251-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-04-18 WO disclosed