SCHEMBL8329645

SCHEMBL8329645

Cc1cccc(-c2c(NC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)[nH]c3ncccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.43
LPAR1 Q92633 1/20 0.43
ACAT1 P24752 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SOAT1 P35610 1/20 0.40

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
SCHEMBL8327204 0.91 GRIN2D (0.43) ACAT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6634626 0.88 LPAR1 (0.48) LPAR1ACAT1GRIN2DGRIN3BGRIN1
SCHEMBL8582961 0.79 ACAT1 (0.37) ACAT1SOAT1
SCHEMBL13485240 0.78 ACAT1 (0.68) ACAT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8586316 0.77 LPAR1 (0.41) NLRP3LPAR1
SCHEMBL8328652 0.76 ACAT1 (0.69) ACAT1SOAT1
SCHEMBL7616554 0.76 ACAT1 (0.43) ACAT1SOAT1
SCHEMBL6101574 0.74 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8586795 0.74 DAO (0.47) LPAR1
SCHEMBL6635500 0.72 ACAT1 (0.53) LPAR1ACAT1SOAT1

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
EP-0947515-A1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-10-06 EP disclosed