SCHEMBL14964217

SCHEMBL14964217

COCCN/C(=N/C#N)NCc1nonc1C(=N)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
IDO1 P14902 5/20 0.34
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LMNA P02545 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
SCHEMBL14964216 1.00 MAPT (0.37) MAPTHTTALDH1A1TSHRIDO1
Trifluoroacetic Acid SCHEMBL15093562 0.95 MAPT (0.37) MAPTHTTALDH1A1TSHRIDO1
SCHEMBL14964209 0.90 IDO1 (0.33) IDO1
SCHEMBL14964211 0.90 IDO1 (0.33) IDO1
SCHEMBL16435132 0.90 MCHR1 (0.33) IDO1
SCHEMBL14964323 0.89 IDO1 (0.32) IDO1
SCHEMBL4972930 0.88 IDO1 (0.31) IDO1
SCHEMBL14964264 0.88 MAPK1 (0.30) MAPTHTT
SCHEMBL14964262 0.88 MAPK1 (0.30) MAPTHTT
SCHEMBL15093564 0.87 ALDH1A1 (0.36) MAPTHTTALDH1A1TSHRIDO1

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
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed