SCHEMBL10149133

SCHEMBL10149133

Cc1ccc(NC(N)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA12 O43570 1/20 0.50
MMP8 P22894 1/20 0.50
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 2/20 0.41
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 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
SCHEMBL1003915 0.78 CA12 (0.52) CA1CA12MMP8TDP1MAPT
SCHEMBL14034732 0.76 KIF11 (0.46) CA1MAPTKIF11CA2MEN1
SCHEMBL24260756 0.74 CA12 (0.48) CA1CA12MMP8TDP1MAPT
SCHEMBL22399126 0.74 CA12 (0.48) CA1CA12MMP8TDP1MAPT
SCHEMBL21169612 0.74 CA12 (0.48) CA1CA12MMP8TDP1MAPT
SCHEMBL9501161 0.74 CA1 (0.52) CA1CA12MMP8TDP1MAPT
SCHEMBL447463 0.73 CA12 (0.47) CA1CA12MMP8TDP1MAPT
SCHEMBL3141077 0.72 CA1 (0.50) CA1CA12MMP8TDP1MAPT
SCHEMBL1454276 0.72 TDP1 (0.59) CA1CA12MMP8TDP1MAPT
SCHEMBL3952756 0.71 CA1 (0.46) CA1CA12MMP8TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422788-A2 Benzodiazepines and compositions and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-29 EP disclosed