SCHEMBL8326346

SCHEMBL8326346

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

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.69
SOAT1 P35610 1/20 0.67
KDM4E B2RXH2 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AVPR1B P47901 1/20 0.35
PDE4A P27815 1/20 0.35
KCNH2 Q12809 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
SCHEMBL8328479 0.97 ACAT1 (0.69) ACAT1SOAT1PDE4AKCNH2
SCHEMBL6635566 0.94 ACAT1 (0.75) ACAT1SOAT1KDM4ENSD2ALDH1A1
SCHEMBL8328255 0.93 ACAT1 (0.68) ACAT1SOAT1PDE4AKCNH2
SCHEMBL8325491 0.93 ACAT1 (0.64) ACAT1SOAT1PDE4AKCNH2
SCHEMBL8329049 0.92 ACAT1 (0.74) ACAT1SOAT1KDM4ENSD2ALDH1A1
SCHEMBL8326825 0.92 ACAT1 (0.63) ACAT1SOAT1
SCHEMBL6636574 0.91 ACAT1 (0.75) ACAT1SOAT1PDE4A
SCHEMBL8329227 0.91 ACAT1 (0.57) ACAT1SOAT1KDM4ENSD2ALDH1A1
SCHEMBL8327151 0.90 ACAT1 (0.66) ACAT1SOAT1
SCHEMBL8326341 0.89 ACAT1 (0.74) ACAT1SOAT1PDE4AKCNH2

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