SCHEMBL22239666

SCHEMBL22239666

CC(C)(O)OCCCOc1ccnc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
F12 P00748 1/20 0.43
FAAH O00519 6/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
PORCN Q9H237 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
HPGD P15428 1/20 0.36
KDR P35968 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 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
SCHEMBL9754368 0.79 F2 (0.49) F2F12GAAMAPTALDH1A1
SCHEMBL896911 0.74 GAA (0.60) F2F12FAAHGAAMAPT
SCHEMBL15890202 0.73 NPC1 (0.54) F2F12GAAMAPTALDH1A1
SCHEMBL821809 0.72 F2 (0.52) F2F12GAAMAPTALDH1A1
SCHEMBL1780143 0.70 TAS2R14 (0.54) F2F12GAAPKM
SCHEMBL17775078 0.69 MAPK14 (0.38) F2F12MAPTALDH1A1MAPKAPK2
SCHEMBL18654581 0.69 KDM4E (0.43) KDM4EMEN1KMT2ATDP1
SCHEMBL7244914 0.68 ALDH1A1 (0.56) F2F12GAAMAPTALDH1A1
SCHEMBL1576702 0.67 MAPT (0.59) F2F12GAAMAPTALDH1A1
SCHEMBL18654720 0.66 KDM4C (0.43) MAPTALDH1A1KDM4E

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-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed