SCHEMBL28063443

SCHEMBL28063443

CCOc1cc(-c2ccccc2)ccc1CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PTPRC P08575 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL2568229 0.83 HTR2C (0.48) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL2567818 0.82 CFD (0.49) MAPTMAPK1L3MBTL1TAAR1
SCHEMBL27814160 0.80 KDM4E (0.60) KDM4EALDH1A1MAPTHSD17B10MAPK1
SCHEMBL2571240 0.80 ALDH1A1 (0.45) KDM4EALDH1A1
SCHEMBL6277682 0.80 RXRA (0.51) KDM4EALDH1A1MAPTHSD17B10MAPK1
SCHEMBL3781455 0.79 ALDH1A1 (0.82) KDM4EALDH1A1MAPTHSD17B10MAPK1
SCHEMBL2803502 0.78 TAAR1 (0.34) KDM4EALDH1A1MAPTHSD17B10MAPK1
SCHEMBL27324840 0.77 EGFR (0.56) KDM4EALDH1A1MAPTHSD17B10MAPK1
SCHEMBL469001 0.76 L3MBTL1 (0.60) ALDH1A1MAPTMAPK1MEN1POLB
SCHEMBL31195759 0.76 L3MBTL1 (0.60) ALDH1A1MAPTMAPK1MEN1POLB

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-105555270-A Pharmaceutical composition for treatment and/or prevention of lung diseases UBE INDUSTRIES 2016-05-04 CN disclosed