SCHEMBL13458772

SCHEMBL13458772

Nc1ccc2c(c1)Oc1cc(N)ccc1C2(O)c1ccccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.40
PDK2 Q15119 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BLM P54132 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
SMAD3 P84022 1/20 0.34
PRMT1 Q99873 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
SCHEMBL12939881 0.84 FTO (0.50) FTOPDK2MEN1KMT2AMAPT
SCHEMBL12018638 0.83 FTO (0.50) FTOMEN1KMT2AMAPTALDH1A1
SCHEMBL418120 0.76 MAPT (0.42) FTOPDK2MEN1KMT2AMAPT
SCHEMBL13069672 0.76 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL12957840 0.72 PDK2 (0.42) PDK2MEN1KMT2AMAPTALDH1A1
SCHEMBL31672202 0.68 MAPT (0.52) FTOPDK2MEN1KMT2AMAPT
SCHEMBL21585350 0.68 MAPT (0.47) FTOPDK2MEN1KMT2AMAPT
SCHEMBL8984527 0.68 MAPT (0.52) FTOPDK2MEN1KMT2AMAPT
SCHEMBL12288857 0.68 LMNA (0.38) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL12649210 0.68 FTO (0.37) FTOMEN1KMT2AMAPTALDH1A1

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-2010028156-A2 DUAL MODALITY DETECTION OF APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-03-11 WO disclosed