SCHEMBL28484119

SCHEMBL28484119

O=Cc1ccc(C=O)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
IP6K1 Q92551 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
XDH P47989 1/20 0.37
CYP2A6 P11509 2/20 0.36

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
SCHEMBL30866160 0.83 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL10494663 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL30600413 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL25068953 0.81 ADORA3 (0.51) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL11549916 0.79 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL27826748 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL24805133 0.78 TRIM24 (0.54) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL21390765 0.73 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL20269925 0.73 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9380942 0.73 IP6K1 (0.53) ALDH1A1MAPTMEN1KMT2ANPC1

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
CN-109134847-B Side group-containing multicomponent polyaramide and preparation method and application thereof 中国科学院化学研究所 2020-10-27 CN claimed
CN-109134847-B Side group-containing multicomponent polyaramide and preparation method and application thereof 中国科学院化学研究所 2020-10-27 CN disclosed