SCHEMBL14023770

SCHEMBL14023770

Cc1c(C=O)c(=O)n(-c2ccccc2)n1C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 1/20 0.40
GRM1 Q13255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.37
PTGS2 P35354 1/20 0.37
CNR2 P34972 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
SCHEMBL23402352 0.82 BCHE (0.55) ALDH1A1MAPTLMNAGAAALOX15
SCHEMBL23403713 0.82 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL23399086 0.80 KDM4E (0.42) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL23398632 0.80 BCHE (0.56) ALDH1A1MAPTLMNAGAAALOX15
SCHEMBL23403374 0.76 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL23402467 0.76 BCHE (0.51) ALDH1A1MAPTLMNAGAAALOX15
SCHEMBL23402766 0.76 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL23401224 0.75 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL23401070 0.74 BCHE (0.53) ALDH1A1MAPTLMNAGAAALOX15
SCHEMBL680008 0.74 ALDH1A1 (0.75) ALDH1A1MAPTSMN1; SMN2LMNAGAA

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-2008141385-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-11-27 WO disclosed