SCHEMBL25922845

SCHEMBL25922845

O=C(O)/C=C/c1c(Cl)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 4/20 0.51
NR4A2 P43354 1/20 0.49
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
AURKB Q96GD4 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HTT P42858 3/20 0.44
HCRTR1 O43613 1/20 0.44

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
SCHEMBL25334743 1.00 MAPT (0.51) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL27386818 0.82 MEN1 (0.52) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL18919152 0.81 MEN1 (0.76) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL18919149 0.81 MEN1 (0.76) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29033517 0.81 MEN1 (0.63) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL28378460 0.77 MAPT (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL2044635 0.77 MAPT (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL8804361 0.76 KMT2A (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL1093112 0.75 CDK1 (0.51) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29953709 0.75 CDK1 (0.51) MAPTMEN1KMT2ALMNAALDH1A1

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
WO-2023147011-A1 COMPOSITIONS AND METHODS FOR INHIBITING SEVERE ACUTE RESPIRATORY SYNDROME (SARS) CORONAVIRUS-2 (SARS-COV-2) VIMU THERAPEUTICS (US) 2023-08-03 WO disclosed