SCHEMBL8597013

SCHEMBL8597013

O=[N+]([O-])c1c(Cl)c(Cl)cc2c1NC=CN2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
GRIN2D O15399 5/20 0.44
GRIN3B O60391 5/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2A Q12879 5/20 0.44
GRIN2B Q13224 5/20 0.44
GRIN2C Q14957 5/20 0.44
GRIN3A Q8TCU5 5/20 0.44
ALDH1A1 P00352 3/20 0.41
DCTPP1 Q9H773 6/20 0.34
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL8142420 0.88 ALDH1A1 (0.47) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8594440 0.83 TSHR (0.39) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8874715 0.73 TSHR (0.52) TSHRGRIN2DGRIN3BGRIN1GRIN2A
Tecnazene SCHEMBL64355 0.72 TSHR (1.00) TSHRGRIN2DGRIN3BGRIN1GRIN2A
Tecnazene SCHEMBL3014845 0.72 TSHR (1.00) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8599654 0.72 ALDH1A1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872587 0.69 TSHR (0.46) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873670 0.69 TSHR (0.46) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873871 0.69 TSHR (0.46) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8872392 0.68 TSHR (0.45) TSHRGRIN2DGRIN3BGRIN1GRIN2A

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-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed