SCHEMBL5201488

SCHEMBL5201488

NC(Cc1cccc(I)c1)=NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PMP22 Q01453 1/20 0.49
IDO1 P14902 2/20 0.47
MAPK8 P45983 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CTBP2 P56545 3/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36

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
SCHEMBL836970 0.79 HTR3E (0.65) IDO1MAPK8HTR3EHTR3BHTR3A
SCHEMBL843513 0.79 CTBP2 (0.57) CYP1A2LMNASMN1; SMN2PMP22HTR3E
SCHEMBL12246382 0.79 CTBP2 (0.57) CYP1A2LMNASMN1; SMN2PMP22HTR3E
SCHEMBL17115029 0.79 HTR3E (0.65) IDO1MAPK8HTR3EHTR3BHTR3A
SCHEMBL27375402 0.78 SIGMAR1 (0.44) LMNASMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL100935 0.78 TAAR1 (0.50) IDO1MAPK8HTR3EHTR3BHTR3A
SCHEMBL100936 0.78 TAAR1 (0.50) IDO1MAPK8HTR3EHTR3BHTR3A
SCHEMBL1580469 0.78 CTBP2 (0.58) LMNASMN1; SMN2IDO1MAPK8HTR3E
SCHEMBL1580471 0.78 CTBP2 (0.58) LMNASMN1; SMN2IDO1MAPK8HTR3E
SCHEMBL29492946 0.77 CYP1A2 (0.55) HIF1ACYP1A2CYP2D6CYP2C19THPO

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-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed