SCHEMBL8322290

SCHEMBL8322290

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(-c2cccc(OCCCn3cncn3)c2)c2cccnc2n(CCCc2ccccc2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.61
SOAT1 P35610 1/20 0.60
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8328266 0.94 ACAT1 (0.59) ACAT1SOAT1TSHRLMNAMAPT
SCHEMBL8327943 0.93 ACAT1 (0.69) ACAT1SOAT1TSHR
SCHEMBL8327651 0.93 ACAT1 (0.64) ACAT1SOAT1MAPT
SCHEMBL6633521 0.93 ACAT1 (0.71) ACAT1SOAT1TSHR
SCHEMBL8328562 0.92 ACAT1 (0.66) ACAT1SOAT1TSHR
SCHEMBL8327438 0.91 ACAT1 (0.62) ACAT1SOAT1MAPT
SCHEMBL8329688 0.91 ACAT1 (0.61) ACAT1SOAT1TSHR
SCHEMBL8326996 0.91 ACAT1 (0.71) ACAT1SOAT1
SCHEMBL8329157 0.91 ACAT1 (0.58) ACAT1SOAT1LMNAMAPTKDM4E
SCHEMBL8321514 0.91 ACAT1 (0.61) ACAT1SOAT1TSHR

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