SCHEMBL9374255

SCHEMBL9374255

CCCOc1cccc(C(C)=O)c1OCSc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HIF1A Q16665 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP2 O75604 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
SCHEMBL9373776 0.84 LMNA (0.47) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9702630 0.84 LMNA (0.54) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9376948 0.83 LMNA (0.46) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9374466 0.78 LMNA (0.55) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL5546782 0.77 LMNA (0.56) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL3135517 0.76 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10912297 0.75 ALDH1A1 (0.58) LMNAALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL810987 0.75 KMT2A (0.51) LMNAALDH1A1KDM4EMAPTKMT2A
Lithium SCHEMBL385607 0.75 LMNA (0.72) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL385606 0.75 LMNA (0.72) LMNAALDH1A1SMN1; SMN2KDM4EMAPT

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
EP-0607217-A1 PYRIDINOL DERIVATIVES AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-07-27 EP disclosed