SCHEMBL8323767

SCHEMBL8323767

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.59
SOAT1 P35610 1/20 0.58
KDM4E B2RXH2 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL8330372 0.93 ACAT1 (0.59) ACAT1SOAT1PDE4APDE4BPDE4C
SCHEMBL8323123 0.93 ACAT1 (0.60) ACAT1SOAT1PDE4APDE4BPDE4C
SCHEMBL8322807 0.93 ACAT1 (0.57) ACAT1SOAT1KDM4ENSD2ALDH1A1
SCHEMBL8328523 0.92 ACAT1 (0.60) ACAT1SOAT1PDE4APDE4BPDE4C
SCHEMBL8325704 0.91 ACAT1 (0.60) ACAT1SOAT1
SCHEMBL8324340 0.91 ACAT1 (0.61) ACAT1SOAT1PDE4APDE4BPDE4C
SCHEMBL8326606 0.91 ACAT1 (0.63) ACAT1SOAT1PDE4APDE4BPDE4C
SCHEMBL8326398 0.91 ACAT1 (0.62) ACAT1SOAT1PDE4APDE4BPDE4C
SCHEMBL8326315 0.90 ACAT1 (0.65) ACAT1SOAT1PDE4APDE4BPDE4C
SCHEMBL8326943 0.90 ACAT1 (0.58) ACAT1SOAT1

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