SCHEMBL6635682

SCHEMBL6635682

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(-c2ccccc2N)c2cccnc2n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.46
SOAT1 P35610 1/20 0.45
LPAR1 Q92633 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6636603 0.90 ACAT1 (0.43) ACAT1SOAT1LPAR1KMT2A
SCHEMBL6632305 0.89 ACAT1 (0.43) ACAT1SOAT1LPAR1
SCHEMBL6639070 0.87 LPAR1 (0.53) ACAT1SOAT1LPAR1
SCHEMBL6634873 0.87 ACAT1 (0.62) ACAT1SOAT1
SCHEMBL6635020 0.86 ACAT1 (0.51) ACAT1SOAT1LPAR1KMT2A
SCHEMBL8566579 0.86 ACAT1 (0.45) ACAT1SOAT1LPAR1KMT2A
SCHEMBL6638335 0.86 ACAT1 (0.53) ACAT1SOAT1LPAR1
SCHEMBL6637035 0.84 ACAT1 (0.57) ACAT1SOAT1LPAR1
SCHEMBL6634842 0.83 ACAT1 (0.48) ACAT1SOAT1LPAR1
SCHEMBL8566199 0.82 ACAT1 (0.45) ACAT1SOAT1LPAR1

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-0842933-B1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-08-04 EP disclosed
EP-0842933-A1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-05-20 EP disclosed