SCHEMBL16695873

SCHEMBL16695873

O=c1[nH]c2cc(CO)nn2c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.70
CYP1A2 P05177 1/20 0.63

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
SCHEMBL31330073 1.00 PARP1 (0.70) PARP1CYP1A2
SCHEMBL16695719 0.86 PARP1 (0.74) PARP1CYP1A2
SCHEMBL4046972 0.83 PARP1 (0.70) PARP1CYP1A2
SCHEMBL4049356 0.82 PARP1 (0.65) PARP1CYP1A2
SCHEMBL31330116 0.80 PARP1 (0.46) PARP1CYP1A2
SCHEMBL29792766 0.78 PARP1 (1.00) PARP1CYP1A2
SCHEMBL16695791 0.78 PARP1 (1.00) PARP1CYP1A2
SCHEMBL4053004 0.77 PARP1 (0.63) PARP1CYP1A2
SCHEMBL4052039 0.77 PARP1 (0.62) PARP1CYP1A2
SCHEMBL27773976 0.77 PARP1 (0.62) PARP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
WO-2015065338-A1 QUINAZOLINE BASED RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed