SCHEMBL819

SCHEMBL819

CN(C1=CC(=O)NCC1)c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.41
HPGD P15428 1/20 0.31
PDPK1 O15530 1/20 0.30
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL7285805 0.77 C1R (0.39) C1R
SCHEMBL22650909 0.70 CRBN (0.38) HPGDPARP1PARP10PARP11
SCHEMBL12552450 0.70 METAP1 (0.36) C1R
SCHEMBL14267621 0.66 MAPK13 (0.33)
SCHEMBL12811256 0.63 C1R (0.45) C1R
SCHEMBL15241514 0.62
SCHEMBL29893980 0.61 MAPT (0.44) C1R
SCHEMBL3838727 0.61 MAPT (0.44) C1R
SCHEMBL27262734 0.61 C1R (0.45) C1R
SCHEMBL8562544 0.61 HPGD (0.35) HPGDPDPK1PARP1PARP10PARP11

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-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP disclosed