SCHEMBL4984072

SCHEMBL4984072

N=C(c1nonc1Cn1ccnc1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
CYP11B1 P15538 8/20 0.36
CYP11B2 P19099 7/20 0.36
CYP19A1 P11511 6/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
ADRA2C P18825 1/20 0.32

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 SCHEMBL16581715 0.94 TBXAS1 (0.34) IDO1CYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL14964291 0.90 IDO1 (0.39) IDO1CYP19A1
SCHEMBL14964196 0.89 IDO1 (0.32) IDO1
SCHEMBL14964273 0.85 ALOX15 (0.40) IDO1
SCHEMBL16581716 0.83 WDR5 (0.34) IDO1CYP11B1CYP11B2CYP19A1
SCHEMBL14462395 0.82 MEN1 (0.40) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL14964338 0.81 IDO1 (0.35) IDO1
SCHEMBL14964339 0.80 MAPK1 (0.32) IDO1
SCHEMBL14964328 0.80 IDO1 (0.37) IDO1
SCHEMBL14964261 0.79 CYP2A13 (0.37) 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 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