SCHEMBL2853107

SCHEMBL2853107

C=C(COc1cc(-c2ccccc2)cnc1Cl)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
AXL P30530 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MPO P05164 1/20 0.36
FYN P06241 2/20 0.36

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
SCHEMBL2853200 0.88 XPO1 (0.42) ALDH1A1MAPTNPSR1TDP1PTGDR2
SCHEMBL2853614 0.88 MAP4K4 (0.40) PDGFRBPDGFRAFYNPPARDHDAC6
SCHEMBL4630931 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL2851115 0.81 LMNA (0.40) KDM4EMAPTKMT2ANPSR1TDP1
SCHEMBL2850939 0.80 MPO (0.41) ALDH1A1KDM4EMEN1KMT2AMPO
SCHEMBL2851798 0.79 PDE4A (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2859252 0.78 MAPT (0.41) MAPTPDGFRBPDGFRAFYNPPARD
SCHEMBL2858821 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2APIK3CDPIK3CA
SCHEMBL2855336 0.74 SMN1; SMN2 (0.38) ALDH1A1MEN1MAPTKMT2APTGDR2
SCHEMBL2853110 0.73 CASP1 (0.44) ALDH1A1AXLMAPTPIK3CDPIK3CA

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 6 patents. 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
EP-1924558-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-28 EP claimed
WO-2007032016-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 WO claimed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP disclosed
EP-1924558-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-28 EP disclosed
WO-2007032016-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 WO disclosed