SCHEMBL20181630

SCHEMBL20181630

CCC(CC)N1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALOX15 P16050 1/20 0.41
APP P05067 7/20 0.41
CASP3 P42574 1/20 0.41
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL18914733 0.83 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL16656165 0.83 CASP3 (0.41) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL10053401 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL20181632 0.79 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL18905640 0.78 KDM4E (0.59) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL22893801 0.78 ALDH1A1 (0.40) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL6364898 0.75 TDP1 (0.52) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL12382279 0.75 TERT (0.41) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL24976834 0.74 MEN1 (0.40) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL10259700 0.74 KDM4E (0.64) ALDH1A1HPGDMEN1KMT2AHSD17B10

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-2018093118-A1 POLYIMIDE-BASED BLOCK COPOLYMER FILM 주식회사 엘지화학 2018-05-24 WO disclosed