SCHEMBL29675206

SCHEMBL29675206

COc1cc(C2=NC(C)(C)Cc3ccccc32)cnc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
APAF1 O14727 1/20 0.44
MITF O75030 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
MPI P34949 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.42
PIK3CA P42336 2/20 0.42
PKM P14618 1/20 0.41
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 1/20 0.39
NTSR1 P30989 1/20 0.38
HTT P42858 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
SCHEMBL18425278 1.00 KDM4E (0.44) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL2911673 0.88 MAPT (0.44) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL4518567 0.81 LMNA (0.44) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL15910504 0.80 KDM4E (0.50) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL15944504 0.80 KDM4E (0.40) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL2905923 0.78 KDM4E (0.49) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL2913499 0.77 KDM4E (0.48) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL15910667 0.77 PDGFRB (0.48) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL20300878 0.77 DYRK1A (0.47) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL4530991 0.76 LMNA (0.46) KDM4EMAPTSMN1; SMN2APAF1MITF

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
CN-108026066-B Pyridine compounds useful for combating phytopathogenic fungi 巴斯夫欧洲公司 2022-05-31 CN disclosed