SCHEMBL13647166

SCHEMBL13647166

COC(=O)c1nc(-c2sccc2NC(=O)OCc2cccc(C)c2)nc(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 6/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
MAPK8 P45983 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL13647255 0.79 ALDH1A1 (0.38) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL5127752 0.77 LMNA (0.43) POLBNPC1RAB9AADORA2A
SCHEMBL13647162 0.75 ALDH1A1 (0.44) MEN1KMT2AMAPK8MAPK9MAPK10
SCHEMBL13647323 0.73 MAPK10 (0.32) MAPK8MAPK9MAPK10
SCHEMBL13647184 0.72 SMN1; SMN2 (0.44) MAPTPOLBNPC1RAB9AMAPK8
SCHEMBL13647254 0.72 MAPK10 (0.31) KMT2AMAPK8MAPK9MAPK10KDM4E
SCHEMBL13647186 0.72 GAA (0.42) MEN1KMT2AMAPTPOLBHPGD
SCHEMBL3840101 0.69 ERCC1 (0.39) KDM4EHPGDRNASEH1ALDH1A1NPSR1
SCHEMBL3833902 0.68 ERCC1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13646996 0.68 ALDH1A1 (0.40) MEN1KMT2AMAPTPOLBNPC1

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
EP-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed