SCHEMBL4050159

SCHEMBL4050159

C=Cc1cccc(N(O)C(=N)c2nonc2N)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
PKM P14618 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
IDO1 P14902 11/20 0.36
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 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
SCHEMBL16321603 0.82 NPC1 (0.44) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL14237485 0.81 IDO1 (0.48) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL4055463 0.81 IDO1 (0.39) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL14693884 0.81 IDO1 (0.53) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL16341406 0.78 IDO1 (0.50) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL16320974 0.78 IDO1 (0.36) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL16340838 0.78 IDO1 (0.40) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL6046572 0.77 PRKCI (0.38) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL12053689 0.76 NPC1 (0.39) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL16340917 0.75 IDO1 (0.35) NPC1RAB9AIDO1LMNASMN1; SMN2

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
EP-1879573-A4 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-07-08 EP claimed
EP-1879573-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-01-23 EP claimed
WO-2006122150-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-11-16 WO claimed