SCHEMBL10272797

SCHEMBL10272797

O=Cc1ccc(Cn2c(=O)[nH]c3sccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.49
ERCC5 P28715 2/20 0.49
FEN1 P39748 2/20 0.49
ERCC4 Q92889 2/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ADRA1B P35368 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
LMNA P02545 2/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CDC7 O00311 1/20 0.36
MAPK13 O15264 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
SCHEMBL6510464 0.86 ALDH1A1 (0.59) ERCC1ERCC5FEN1ERCC4ALDH1A1
SCHEMBL6518727 0.82 FEN1 (0.47) ERCC1ERCC5FEN1ERCC4ALDH1A1
SCHEMBL2733484 0.82 ERCC1 (0.50) ERCC1ERCC5FEN1ERCC4ALDH1A1
SCHEMBL10272767 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDLMNAHDAC1
SCHEMBL2759479 0.75 ERCC1 (0.58) ERCC1ERCC5FEN1ERCC4ALDH1A1
SCHEMBL24570832 0.74 PARG (0.48) ERCC1ERCC5FEN1ERCC4ALDH1A1
SCHEMBL2773897 0.72 ADORA2B (0.59) ERCC1ERCC5FEN1ERCC4ALDH1A1
SCHEMBL210872 0.72 HDAC1 (0.74) SMN1; SMN2LMNAHDAC1MAPTPOLB
SCHEMBL3457587 0.69 ERCC1 (0.45) ERCC1ERCC5FEN1ERCC4ALDH1A1
SCHEMBL24570158 0.69 PARG (0.49) ERCC1ERCC5FEN1ERCC4ALDH1A1

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed