SCHEMBL3722135

SCHEMBL3722135

O=C(CNc1ccc(N2CCOCC2)cc1)c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 4/20 0.61
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 4/20 0.51
GFER P55789 1/20 0.50
HRH3 Q9Y5N1 3/20 0.47
AIMP2 Q13155 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.46
ROCK1 Q13464 1/20 0.45
MEN1 O00255 1/20 0.45
RPS6KA3 P51812 1/20 0.45
RPS6KA2 Q15349 1/20 0.45

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
SCHEMBL3725123 0.80 ADAM17 (0.61) ALDH1A1LMNAKMT2AMEN1
SCHEMBL397852 0.78 CFTR (0.66) ALDH1A1MAPTKMT2AROCK1MEN1
SCHEMBL3721485 0.75 SMN1; SMN2 (0.67) MAPTLMNAKMT2AMEN1
SCHEMBL12123854 0.74 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL30964171 0.74 MAPT (0.80) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL6625019 0.72 L3MBTL1 (0.58) ALDH1A1MAPTKDM4EL3MBTL1RPS6KA3
SCHEMBL30964163 0.72 MAPT (0.61) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL22500324 0.72 MAPT (0.70) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL22500323 0.72 MAPT (0.70) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL30964188 0.72 MAPT (0.70) ALDH1A1MAPTKDM4ELMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 WO disclosed
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 WO disclosed