SCHEMBL9596206

SCHEMBL9596206

NC(=NCCc1ccccc1)c1ccsc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.68
GRIN1 Q05586 5/20 0.68
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
HIF1A Q16665 2/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
ADRA2B P18089 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE3A Q14432 1/20 0.49
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR52 Q9Y2T5 1/20 0.47
HTR3A P46098 1/20 0.45

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
SCHEMBL9596201 1.00 GRIN2B (0.68) GRIN2BGRIN1LMNATSHRHIF1A
SCHEMBL9212054 0.75 GPR52 (0.41) GRIN2BGRIN1LMNATSHRHIF1A
[11C]Phenethylguanidine SCHEMBL837645 0.72 HTR3A (0.80) GRIN2BGRIN1LMNATSHRHIF1A
SCHEMBL9153569 0.71 GRIN1 (0.71) GRIN2BGRIN1LMNATSHRHIF1A
SCHEMBL1544143 0.69
SCHEMBL15574231 0.69 GPR52 (0.57) MAPTSMN1; SMN2TDP1GPR52GAA
SCHEMBL5839538 0.69 HIF1A (0.65) GRIN2BGRIN1LMNATSHRHIF1A
SCHEMBL14625427 0.68
SCHEMBL27447143 0.68 NOS3 (0.54) ADRA2AADRA2BSLC6A2TDP1HTR3A
Hydrochloric Acid SCHEMBL10876994 0.67 HIF1A (0.62) GRIN2BGRIN1LMNATSHRHIF1A

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-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed