SCHEMBL17738700

SCHEMBL17738700

N=Cc1c(N)cc(Cl)cc1C(ON)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 20/20 0.51
▸ TDO2 P48775 20/20 0.51
▸ IDO2 Q6ZQW0 3/20 0.49

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
SCHEMBL17738720 0.77 IDO1 (0.40) IDO1TDO2
SCHEMBL17738771 0.77 TACR1 (0.31) IDO1TDO2
SCHEMBL17739334 0.75 GABRA1 (0.32) —
SCHEMBL17738958 0.72 GABRA1 (0.30) —
SCHEMBL17738772 0.69 — —
SCHEMBL17739390 0.69 LMNA (0.39) —
SCHEMBL17738734 0.69 GABRA1 (0.32) —
SCHEMBL17738774 0.69 KMT2A (0.33) —
SCHEMBL17739108 0.68 GABRA1 (0.37) —
SCHEMBL17738987 0.68 IDO1 (0.39) IDO1

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-2016071293-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2016-05-12 — — WO disclosed
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