SCHEMBL17665352

SCHEMBL17665352

Nc1ccc(OC2c3ccccc3-n3cncc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
IDO1 P14902 3/20 0.39
MAOA P21397 1/20 0.32

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
SCHEMBL17651987 0.90 TDO2 (0.50) TDO2IDO1
SCHEMBL17651935 0.88 TDO2 (0.46) TDO2IDO1
SCHEMBL17652000 0.88 TDO2 (0.46) TDO2IDO1
SCHEMBL17651995 0.88 TDO2 (0.46) TDO2IDO1
SCHEMBL17665351 0.87 TDO2 (0.48) TDO2IDO1
SCHEMBL17665353 0.86 TDO2 (0.45) TDO2IDO1
SCHEMBL17665686 0.81 TDO2 (0.47) TDO2IDO1
SCHEMBL17651986 0.79 TDO2 (0.43) TDO2IDO1
SCHEMBL17665680 0.79 TDO2 (0.43) TDO2IDO1
SCHEMBL17665689 0.77 TDO2 (0.42) TDO2IDO1

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
WO-2016051181-A1 4H-IMIDAZO[1,5-A]INDOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed