SCHEMBL4049583

SCHEMBL4049583

N=C(c1nonc1N)N(O)c1cccc(-c2cnco2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC4 P56524 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IL2 P60568 1/20 0.33
IDO1 P14902 1/20 0.33
BRAF P15056 1/20 0.33
IMPDH2 P12268 1/20 0.33
PTK2 Q05397 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LIMK2 P53671 1/20 0.31
PARP1 P09874 1/20 0.31
PDK2 Q15119 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
SCHEMBL12053690 0.79 MAP4K4 (0.48) MAP4K4MEN1KMT2AHDAC4CYP11B1
SCHEMBL16321603 0.77 NPC1 (0.44) MAP4K4MEN1KMT2AIDO1ALDH1A1
SCHEMBL14237485 0.76 IDO1 (0.48) MEN1KMT2AIDO1KDM4EPOLB
SCHEMBL14693884 0.76 IDO1 (0.53) MEN1KMT2AIDO1ALDH1A1MAPT
SCHEMBL4055463 0.76 IDO1 (0.39) IDO1ALDH1A1MAPTLMNAPKM
SCHEMBL6046592 0.73 IDO1 (0.36) IDO1LMNAPKMNPC1RAB9A
SCHEMBL16341406 0.73 IDO1 (0.50) HDAC4IDO1KDM4EALDH1A1MAPT
SCHEMBL4050159 0.73 NPC1 (0.39) IDO1ALDH1A1MAPTLMNAPKM
SCHEMBL16320974 0.73 IDO1 (0.36) IDO1ALDH1A1MAPTLMNAPKM
SCHEMBL16340838 0.73 IDO1 (0.40) IDO1ALDH1A1MAPTLMNAPKM

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