SCHEMBL8720176

SCHEMBL8720176

CC1(C)CC(c2ccc3c(c2)CC(NS(C)(=O)=O)C3)=NNC1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
GRIA2 P42262 15/20 0.40
HRH3 Q9Y5N1 4/20 0.40
KCNH2 Q12809 2/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8714845 0.81 HRH3 (0.44) HRH3KCNH2
SCHEMBL8304115 0.81 PDE3B (0.47) NR1H2GRIA2KCNH2
SCHEMBL11568277 0.67 HRH3 (0.50) HRH3KCNH2
SCHEMBL20138742 0.67 HRH3 (0.53) HRH3KCNH2CYP1A2
SCHEMBL20159394 0.67 HRH3 (0.50) HRH3KCNH2
SCHEMBL10405611 0.67 NR1H2 (0.47) NR1H2GRIA2
SCHEMBL8303942 0.67 PDE3B (0.42) GRIA2KCNH2
SCHEMBL8720034 0.66 HDAC8 (0.42) NR1H2GRIA2HRH3CYP1A2
SCHEMBL8306283 0.66 LMNA (0.47) NR1H2GRIA2
SCHEMBL8110725 0.66 SMN1; SMN2 (0.48) NR1H2

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
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed