SCHEMBL5318702

SCHEMBL5318702

COCc1cc(N)cc(OC)c1.COCc1cc(OC)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL4975093 0.91 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
SCHEMBL31118853 0.84 MAPT (0.56) MAPTMEN1KMT2ALMNAHTT
SCHEMBL189811 0.84 MAPT (0.56) MAPTMEN1KMT2ALMNAHTT
SCHEMBL4976688 0.84 CYP19A1 (0.48) MAPK1ALDH1A1PTGS2TDP1CYP19A1
Butane SCHEMBL9017614 0.79 CYP19A1 (0.44) MAPK1ALDH1A1PTGS2TDP1CYP19A1
SCHEMBL5159592 0.79 MAPT (0.39) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11273785 0.79 CYP19A1 (0.50) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL3508166 0.78 LOXL2 (0.48) MAPTMEN1KMT2ALMNAHTT
SCHEMBL29008515 0.75 TAAR1 (0.49) MAPTMEN1KMT2ALMNAHTT
SCHEMBL30386000 0.75 TAAR1 (0.49) MAPTMEN1KMT2ALMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO disclosed