SCHEMBL2851215

SCHEMBL2851215

C=C(C#N)C(O)c1ccc(C(=O)O)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL2851376 0.84 SCN9A (0.34) KDM4ETSHR
SCHEMBL2851683 0.78 EGFR (0.30) EGFR
SCHEMBL2849381 0.75 CASP1 (0.39) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29238116 0.72 KDM4E (0.39) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2859246 0.72 CASP1 (0.57) KDM4ETDP1
SCHEMBL30963650 0.68 KDM4E (0.42) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1142900 0.68 KDM4E (0.42) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL8514225 0.67 KDM4E (0.41) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2853211 0.67 L3MBTL1 (0.39) KDM4EEGFR
SCHEMBL3632915 0.65 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1

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-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP claimed