SCHEMBL2514099

SCHEMBL2514099

CC(C)c1cccc(N=C(N)c2nonc2O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.58
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.38
NOS1 P29475 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MDM4 O15151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TYR P14679 1/20 0.35

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
SCHEMBL2519693 0.82 IDO1 (0.55) IDO1LMNANOS1MAPTNPC1
SCHEMBL2517638 0.80 IDO1 (0.52) IDO1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2516354 0.77 HTR3E (0.53) IDO1SIGMAR1KDM4EMAPTNPC1
SCHEMBL2513748 0.76 IDO1 (0.49) IDO1LMNANOS1MAPTSMN1; SMN2
SCHEMBL1832612 0.76 HTR3E (0.56) IDO1GRIN2BLMNANOS1KDM4E
SCHEMBL2521525 0.76 IDO1 (0.46) IDO1LMNANOS1ALDH1A1SMN1; SMN2
SCHEMBL6046550 0.73 IDO1 (1.00) IDO1LMNAMAPTHPGDHTT
SCHEMBL8400992 0.73 GRIN2D (0.64) IDO1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2518465 0.72 NOS2 (0.49) IDO1LMNAKDM4EALDH1A1MAPT
SCHEMBL2521619 0.72 IDO1 (0.42) IDO1LMNASMN1; SMN2NPC1PKM

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-8034953-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2011-10-11 US disclosed