SCHEMBL4033799

SCHEMBL4033799

COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccc(O)c2)N1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.73
CCKBR P32239 2/20 0.72
KIF11 P52732 2/20 0.69
KDM4E B2RXH2 3/20 0.65
TSHR P16473 2/20 0.65
HSD17B10 Q99714 2/20 0.65
HTT P42858 1/20 0.65
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CYP2D6 P10635 3/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 3/20 0.59
ALOX12 P18054 1/20 0.59
CYP2C19 P33261 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD2 P14416 1/20 0.55
HTR7 P34969 1/20 0.55
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL1195763 1.00 PDE5A (0.73) PDE5ACCKBRKIF11KDM4ETSHR
SCHEMBL4034976 1.00 PDE5A (0.73) PDE5ACCKBRKIF11KDM4ETSHR
SCHEMBL1197087 1.00 PDE5A (0.73) PDE5ACCKBRKIF11KDM4ETSHR
SCHEMBL1922013 0.89 CCKBR (0.78) PDE5ACCKBRKIF11KDM4ETSHR
SCHEMBL1921528 0.89 CCKBR (0.85) PDE5ACCKBRKDM4ETSHRHSD17B10
SCHEMBL17760646 0.89 CCKBR (0.85) PDE5ACCKBRKDM4ETSHRHSD17B10
SCHEMBL16489366 0.89 CCKBR (0.85) PDE5ACCKBRKDM4ETSHRHSD17B10
SCHEMBL4600163 0.89 CCKBR (0.85) PDE5ACCKBRKDM4ETSHRHSD17B10
SCHEMBL13402875 0.89 CCKBR (0.85) PDE5ACCKBRKDM4ETSHRHSD17B10
SCHEMBL1921583 0.89 CCKBR (0.85) PDE5ACCKBRKDM4ETSHRHSD17B10

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
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 EP disclosed
WO-2009024613-A1 TETRACYCLIC INDOLOPYRIDINES AS EG5 INHIBITORS 4SC AG (DE) 2009-02-26 WO disclosed