SCHEMBL9846744

SCHEMBL9846744

Cc1ccc2c(c1)cc(-c1ccccc1C#N)n2C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.52
NR1H3 Q13133 3/20 0.48
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41

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
SCHEMBL9846763 0.80 NR1H2 (0.51) NR1H2NR1H3BRD4CREBBP
SCHEMBL8820122 0.80 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL9846756 0.80 NR1H2 (0.48) NR1H2NR1H3BRD4CREBBPCA12
SCHEMBL16031735 0.79 NR1H2 (0.43) NR1H2NR1H3CA12CA9ATR
SCHEMBL21657872 0.76 NR1H2 (0.52) NR1H2NR1H3BRD4CREBBPCA12
SCHEMBL10173695 0.74 NR1H2 (0.49) NR1H2NR1H3CA12CA9ATR
SCHEMBL3001991 0.74 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL16760212 0.72 NR1H2 (0.52) NR1H2NR1H3ATRATRIP
SCHEMBL27983070 0.72 NR1H2 (0.48) NR1H2NR1H3ATRATRIP
SCHEMBL17220643 0.72 NR1H2 (0.74) NR1H2NR1H3

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-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed