SCHEMBL14036631

SCHEMBL14036631

COc1cc(NC(=O)Oc2ccc(N=O)cc2)ccc1-n1cc(C)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 2/20 0.40
DDX3X O00571 1/20 0.39
USP2 O75604 2/20 0.39
PKM P14618 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SNCA P37840 1/20 0.37
FLT3 P36888 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 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
SCHEMBL4093222 0.70 MAPT (0.47) KMT2ASNCA
SCHEMBL21431105 0.69 PRSS1 (0.54) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL14036811 0.69 POLB (0.39) POLBALDH1A1NPSR1GAAHTT
SCHEMBL14036559 0.66 NR4A1 (0.54) MAPK1ALDH1A1USP2LMNAKDM4E
SCHEMBL14036574 0.66 TP53 (0.44) POLBALDH1A1DDX3XUSP2KDM4E
SCHEMBL14036575 0.66 DDX3X (0.40) MAPK1POLBALDH1A1NPSR1DDX3X
SCHEMBL28236257 0.64 ALDH1A1 (0.66) ALDH1A1RAB9ALMNAMEN1KMT2A
SCHEMBL29739277 0.64 POLB (0.69) MAPK1POLBALDH1A1LMNAMEN1
SCHEMBL28393944 0.63 POLB (0.77) POLBALDH1A1NPC1RAB9ALMNA
SCHEMBL13099965 0.63 KCNQ3 (0.49) KDM4EGAA

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed