SCHEMBL4979807

SCHEMBL4979807

CC(C)(CNCc1nonc1C(=N)N(O)c1ccc(F)c(Cl)c1)N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
POLQ O75417 2/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
CYP3A4 P08684 1/20 0.31
AKT1 P31749 1/20 0.31
PIK3CG P48736 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
IDO1 P14902 1/20 0.31
HTR1A P08908 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL14462764 0.85 LMNA (0.42) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL14964215 0.84 FYN (0.40) ALDH1A1GAALMNAKMT2AIDO1
SCHEMBL15092999 0.83 EGFR (0.35) POLQLMNAKMT2APIK3CDPIK3CB
SCHEMBL14964260 0.82 EGFR (0.39) ALDH1A1GAALMNAL3MBTL1CYP3A4
SCHEMBL5630763 0.81 LMNA (0.42) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL5630752 0.81 LMNA (0.42) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL14964261 0.80 CYP2A13 (0.37) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL5630766 0.78 IDO1 (0.52) IDO1
SCHEMBL4979731 0.78 IDO1 (0.34) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL14964214 0.78 ALDH1A1 (0.33) ALDH1A1GAALMNAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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