SCHEMBL11069735

SCHEMBL11069735

O=[C]N1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CASP3 P42574 1/20 0.43
EHMT2 Q96KQ7 2/20 0.41
EHMT1 Q9H9B1 2/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CDC25B P30305 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
GLS O94925 1/20 0.40
DRD3 P35462 1/20 0.39
MAOA P21397 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CES2 O00748 1/20 0.39
APAF1 O14727 1/20 0.39
TERT O14746 1/20 0.39
NPC1 O15118 1/20 0.39
PLIN1 O60240 1/20 0.39
TDP2 O95551 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
SCHEMBL20422074 0.84 DPP4 (0.41) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL5340450 0.81 POLB (0.46) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL1414506 0.77 POLB (0.43) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL9550323 0.77 CA12 (0.43) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL29350375 0.77 POLB (0.43) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL5348884 0.77 POLB (0.48) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL9143697 0.77 CA12 (0.43) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL10973467 0.77 POLB (0.43) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL6302393 0.73 CASP3 (0.43) POLBCASP3EHMT2EHMT1CYP1A2
SCHEMBL31287337 0.72 POLB (0.48) POLBCASP3EHMT2EHMT1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114126619-B Compounds for the synthesis of peptidomimetics 范因斯坦医学研究院 2024-03-15 CN disclosed
US-4439433-A CEPHALOSPORIN ANTIBIOTICS ROUSSEL UCLAF (FR) 1984-03-27 US disclosed