SCHEMBL2853131

SCHEMBL2853131

C=C(C#N)COc1cc(CC)cnc1Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2853152 0.84 NPC1 (0.33) ALDH1A1KDM4EHPGD
SCHEMBL2858821 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTDP1
SCHEMBL2851798 0.77 PDE4A (0.36) ALDH1A1KDM4EHPGD
SCHEMBL2853192 0.76 XPO1 (0.35) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4631483 0.75 PTGS2 (0.34) TDP1
SCHEMBL22641245 0.73 PTGS2 (0.48) ALDH1A1KDM4ETDP1
SCHEMBL6603590 0.71 MAPT (0.38) ALDH1A1KDM4EHPGD
SCHEMBL2851592 0.70
SCHEMBL22978573 0.70 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDTDP1
SCHEMBL4881459 0.69 CRHR1 (0.33)

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