SCHEMBL6637441

SCHEMBL6637441

COc1ccc(-c2c(C(=O)O)c(=O)n(CCCC#N)c3ncccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.44
CYP2C19 P33261 2/20 0.42
USP2 O75604 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41

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
SCHEMBL6635742 0.90 SOAT1 (0.45) EDNRB
SCHEMBL7610547 0.89 EDNRB (0.49) EDNRBHSD17B10PTGDR2
SCHEMBL6636299 0.81 PADI4 (0.47) EDNRBUSP2LMNAHSD17B10PTGDR2
SCHEMBL6640973 0.79 ACAT1 (0.52) EDNRBHSD17B10
SCHEMBL6638660 0.78 ACAT1 (0.49) EDNRBHSD17B10
SCHEMBL8325752 0.77 PDE4A (0.49) KMT2AMEN1
SCHEMBL6634385 0.76 EDNRB (0.46) EDNRBRXFP1
SCHEMBL7613883 0.76 ACAT1 (0.46) EDNRB
SCHEMBL6636150 0.76 EDNRB (0.49) EDNRBUSP2CASP1CASP7LMNA
SCHEMBL6639134 0.74 EDNRB (0.44) EDNRB

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 3 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
US-5843957-A Naphthyridine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1998-12-01 US disclosed
EP-0842933-A1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-05-20 EP disclosed