SCHEMBL28409253

SCHEMBL28409253

Nc1ccc(CC2(Cc3ccc(N)cc3)CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GFER P55789 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MAOB P27338 5/20 0.37
MAOA P21397 3/20 0.37
EPHX1 P07099 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4341772 0.89 ALDH1A1 (0.48) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL28637021 0.81 MAOB (0.52) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL28443338 0.78 ESR1 (0.48) ALDH1A1ADRB2HTT
SCHEMBL1820867 0.78 MAOB (0.54) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL4581280 0.77 MAOA (0.52) ALDH1A1MAOBMAOAKMT2AADRB2
SCHEMBL268688 0.77 MAOA (0.52) ALDH1A1MAOBMAOAKMT2AADRB2
SCHEMBL1588016 0.77 MAOA (0.52) ALDH1A1MAOBMAOAKMT2AADRB2
Hydrochloric Acid SCHEMBL3966839 0.77 MAOB (0.52) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL30279705 0.77 CYP3A4 (0.41) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL8347115 0.75 MAOA (0.54) ALDH1A1MAOBMAOAADRB2HTT

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
CN-111133019-A Block copolymer, resin composition, coating film, resin film, OLED element, light-emitting device, and method for producing block copolymer 捷恩智株式会社 2020-05-08 CN disclosed