SCHEMBL8326879

SCHEMBL8326879

CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(-c2cccc(C#CCNCc3ccncc3)c2)c2cccnc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.58
SOAT1 P35610 1/20 0.56
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL8329779 0.93 ACAT1 (0.56) ACAT1SOAT1
SCHEMBL8325244 0.92 ACAT1 (0.62) ACAT1SOAT1
SCHEMBL8328138 0.91 ACAT1 (0.58) ACAT1SOAT1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8322797 0.90 ACAT1 (0.60) ACAT1SOAT1
SCHEMBL8326104 0.90 ACAT1 (0.62) ACAT1SOAT1MAPT
SCHEMBL8326410 0.89 ACAT1 (0.56) ACAT1SOAT1
SCHEMBL8326315 0.89 ACAT1 (0.65) ACAT1SOAT1
SCHEMBL8326398 0.88 ACAT1 (0.62) ACAT1SOAT1
SCHEMBL8325569 0.88 ACAT1 (0.64) ACAT1SOAT1
SCHEMBL8322807 0.87 ACAT1 (0.57) ACAT1SOAT1KDM4EALDH1A1

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