Sugi Predict

Sugi Predict / Compounds / SCHEMBL17665688

SCHEMBL17665688

SCHEMBL17665688

OCc1ccccc1C1c2ccccc2-n2cncc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 3/20 0.58
▸ IDO1 P14902 2/20 0.45
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ ABL2 P42684 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ ACHE P22303 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
SCHEMBL17665340 0.81 TDO2 (0.55) TDO2IDO1CYP3A4ACHE
SCHEMBL17665682 0.81 TDO2 (0.56) TDO2IDO1CYP3A4
SCHEMBL17665341 0.79 TDO2 (0.52) TDO2IDO1CYP3A4ACHE
SCHEMBL17665480 0.78 TDO2 (0.52) TDO2IDO1
SCHEMBL17665690 0.78 TDO2 (0.52) TDO2IDO1CYP3A4
SCHEMBL17665692 0.78 TDO2 (0.52) TDO2IDO1
SCHEMBL17651983 0.75 TDO2 (0.62) TDO2IDO1CYP3A4ACHE
SCHEMBL17651989 0.74 TDO2 (1.00) TDO2IDO1EGFRCYP3A4ACHE
SCHEMBL17651965 0.73 TDO2 (0.56) TDO2IDO1CYP3A4ACHE
SCHEMBL17665693 0.71 TDO2 (0.45) TDO2IDO1CYP3A4

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