SCHEMBL10000449

SCHEMBL10000449

CCCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 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
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45
CASP7 P55210 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL10000446 0.89 POLB (0.51) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL12385280 0.88 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL12156954 0.88 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL16448929 0.85 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL12972584 0.83 MEN1 (0.49) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL25457217 0.81 APP (0.56) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL12246310 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL26832356 0.80 POLB (0.56) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL26832358 0.80 POLB (0.56) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL26832339 0.80 POLB (0.56) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1

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
US-8289833-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-10-16 US disclosed
US-20120033539-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed