SCHEMBL12831779

SCHEMBL12831779

C=C(/C=C\C)n1c(O)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.36
ASAH1 Q13510 3/20 0.36
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL14495652 0.78 TSHR (0.43) KMT2AALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL14161087 0.75 ALDH1A1 (0.48) KMT2AALDH1A1KDM4EASAH1TSHR
SCHEMBL24309082 0.73 POLB (0.37) KMT2AALDH1A1KDM4ETSHRLMNA
SCHEMBL21090873 0.73 POLB (0.47) KMT2AALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL20442126 0.70 KDM4E (0.40) KMT2AALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL13880407 0.70 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EASAH1TSHR
SCHEMBL21698289 0.67 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EASAH1TSHR
SCHEMBL179064 0.66 SMN1; SMN2 (0.61) KMT2AALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL13534479 0.66 MAPK1 (0.50) KMT2AALDH1A1KDM4ETSHRLMNA
SCHEMBL20083353 0.65 HSD17B10 (0.44) KMT2AALDH1A1KDM4ETSHRL3MBTL1

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-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed