SCHEMBL4979731

SCHEMBL4979731

N=C(c1nonc1CNCCO)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.34
TDO2 P48775 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
Trifluoroacetic Acid SCHEMBL15093526 0.93 IDO1 (0.32) IDO1ALDH1A1MEN1KMT2ALMNA
SCHEMBL14964214 0.89 ALDH1A1 (0.33) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL14964279 0.88 IDO1 (0.33) IDO1TDO2
SCHEMBL4980217 0.86 TAAR1 (0.35) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL14964194 0.86 SMN1; SMN2 (0.37) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL14964338 0.86 IDO1 (0.35) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL15093527 0.85 MAPT (0.32) IDO1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14964340 0.85 SIGMAR1 (0.36) IDO1ALDH1A1MEN1KMT2ALMNA
SCHEMBL14964215 0.84 FYN (0.40) IDO1ALDH1A1KMT2ALMNAHTT
SCHEMBL14964260 0.83 EGFR (0.39) ALDH1A1LMNAL3MBTL1

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 3 patents. 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
EP-1971583-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2008-09-24 EP claimed
WO-2007075598-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2007-07-05 WO claimed