SCHEMBL14964299

SCHEMBL14964299

N=C(c1nonc1CNS(=O)(=O)CC(F)(F)F)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.35
ALDH1A1 P00352 1/20 0.34
TDO2 P48775 1/20 0.32
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4971385 0.90 ALDH1A1 (0.38) IDO1ALDH1A1TDO2MEN1LMNA
SCHEMBL14964244 0.87 ALDH1A1 (0.36) IDO1ALDH1A1RORCMEN1LMNA
SCHEMBL14964354 0.85 ALDH1A1 (0.39) IDO1ALDH1A1TDO2MEN1LMNA
SCHEMBL14964272 0.84 ALDH1A1 (0.35) IDO1ALDH1A1RORCMEN1LMNA
SCHEMBL14964369 0.84 ALDH1A1 (0.36) IDO1ALDH1A1TDO2MEN1LMNA
SCHEMBL14964325 0.83 IDO1 (0.35) IDO1ALDH1A1TDO2RORCMEN1
SCHEMBL14462043 0.83 SMN1; SMN2 (0.39) IDO1RORCMEN1LMNAKMT2A
SCHEMBL14964280 0.80 MAPT (0.46) ALDH1A1RORCMEN1LMNATP53
SCHEMBL14964252 0.79 IDO1 (0.45) IDO1ALDH1A1MEN1LMNATP53
Trifluoroacetic Acid SCHEMBL15093526 0.79 IDO1 (0.32) IDO1ALDH1A1MEN1LMNATP53

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