SCHEMBL4023792

SCHEMBL4023792

COc1ccc(CSc2c(N3CCC(C)CC3)ccnc2C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 2/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4031550 0.91 TP53 (0.49) GAAPOLBTP53PKMMAPT
SCHEMBL4024543 0.91 ALK (0.43) GAAPOLBSMN1; SMN2CCNE1CDK2
SCHEMBL4023413 0.90 LMNA (0.41) GAAMAPK1SMN1; SMN2TP53PKM
SCHEMBL4024155 0.89 TP53 (0.42) GAAPOLBSMN1; SMN2TP53PKM
SCHEMBL4024174 0.81 POLB (0.45) GAAPOLBMAPK1SMN1; SMN2MAPT
SCHEMBL4027172 0.78 GAA (0.47) GAAMAPK1SMN1; SMN2MAPTLMNA
SCHEMBL4023504 0.78 GAA (0.46) GAAMAPK1SMN1; SMN2MAPTLMNA
SCHEMBL4028969 0.74 TP53 (0.50) GAAPOLBMAPK1SMN1; SMN2TP53
SCHEMBL4027846 0.71 TP53 (0.46) GAAPOLBMAPK1SMN1; SMN2TP53
SCHEMBL4023451 0.71 TSHR (0.44) GAAPOLBMAPK1SMN1; SMN2MAPT

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