SCHEMBL4024155

SCHEMBL4024155

COc1ccc(CSc2c(N3CCSCC3)ccnc2C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4031550 0.92 TP53 (0.49) TP53MAPTLMNAPKMKDM4E
SCHEMBL4023792 0.89 GAA (0.44) TP53MAPTLMNAPKMSMN1; SMN2
SCHEMBL4023413 0.86 LMNA (0.41) TP53MAPTLMNAPKMSMN1; SMN2
SCHEMBL4024543 0.85 ALK (0.43) TP53MAPTLMNAPKMSMN1; SMN2
SCHEMBL4027172 0.79 GAA (0.47) MAPTLMNASMN1; SMN2GAAKMT2A
SCHEMBL4023504 0.78 GAA (0.46) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4028969 0.74 TP53 (0.50) TP53MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4027846 0.72 TP53 (0.46) TP53MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4030543 0.71 KMT2A (0.51) TP53MAPTLMNAPKMSMN1; SMN2
SCHEMBL4024174 0.69 POLB (0.45) MAPTLMNASMN1; SMN2KDM4EGAA

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