SCHEMBL5492834

SCHEMBL5492834

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CASP3 P42574 3/20 0.41
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PKM P14618 2/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MC4R P32245 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5492830 1.00 ALDH1A1 (0.42) ALDH1A1CASP3POLBNPSR1CYP1A2
SCHEMBL5340450 0.75 POLB (0.46) ALDH1A1CASP3POLBNPSR1CYP1A2
SCHEMBL5348884 0.72 POLB (0.48) ALDH1A1CASP3POLBNPSR1CYP1A2
SCHEMBL11069735 0.69 POLB (0.44) CASP3POLBNPSR1CYP1A2EHMT2
SCHEMBL6302393 0.68 CASP3 (0.43) ALDH1A1CASP3POLBCYP1A2EHMT2
SCHEMBL5457531 0.68 ALDH1A1 (0.46) ALDH1A1CASP3POLBNPSR1CYP1A2
SCHEMBL9143697 0.67 CA12 (0.43) ALDH1A1CASP3POLBCYP1A2EHMT2
SCHEMBL10973467 0.67 POLB (0.43) CASP3POLBNPSR1CYP1A2EHMT2
SCHEMBL9550323 0.67 CA12 (0.43) ALDH1A1CASP3POLBCYP1A2EHMT2
SCHEMBL1414506 0.67 POLB (0.43) CASP3POLBNPSR1CYP1A2EHMT2

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
US-7179582-B2 Radical polymerizable composition and lithographic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. (JP) 2007-02-20 US disclosed
US-20050031986-A1 Radical polymerizable composition and lithographic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. 2005-02-10 US disclosed