SCHEMBL4028969

SCHEMBL4028969

COc1c(N2CCCCC2)ccnc1C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 5/20 0.49
RAB9A P51151 6/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 5/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MCL1 Q07820 2/20 0.45
NR4A1 P22736 1/20 0.45
MEN1 O00255 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.44
PDGFRB P09619 2/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL4030543 0.90 KMT2A (0.51) TP53L3MBTL1RAB9AKMT2ANPC1
SCHEMBL4027846 0.88 TP53 (0.46) TP53L3MBTL1RAB9AKMT2ANPC1
SCHEMBL4031550 0.83 TP53 (0.49) TP53L3MBTL1RAB9AKMT2AMAPT
SCHEMBL4024174 0.77 POLB (0.45) L3MBTL1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4023451 0.76 TSHR (0.44) L3MBTL1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4024155 0.74 TP53 (0.42) TP53RAB9AKMT2ANPC1MAPT
SCHEMBL5583670 0.74 KDR (0.55) L3MBTL1RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL4023792 0.74 GAA (0.44) TP53RAB9AKMT2ANPC1MAPT
SCHEMBL4024543 0.73 ALK (0.43) TP53L3MBTL1RAB9ANPC1MAPT
SCHEMBL30952341 0.71 CDK8 (0.47) KMT2ANPC1MAPTMEN1KDM4E

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-1404666-B1 4-SUBSTITUTED-PICOLINIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-05-27 EP claimed
EP-1404666-B1 4-SUBSTITUTED-PICOLINIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-05-27 EP disclosed