SCHEMBL8437874

SCHEMBL8437874

CCn1c(C)c2c(c1C)C(=O)C(C)=C(C)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.33
GSK3B P49841 3/20 0.32
GSK3A P49840 2/20 0.32
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CTRC Q99895 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 1/20 0.31

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
SCHEMBL8437857 0.81 PTGS2 (0.39) KDM4EHSD17B10POLBGSK3BGSK3A
SCHEMBL8434025 0.79 PTGS2 (0.48) KDM4EGSK3BMAPTKMT2AMEN1
SCHEMBL8520543 0.73 CYP3A4 (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL13730605 0.66 KDM4E (0.50) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL8433530 0.65 ALDH1A1 (0.33) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2446004 0.62 GSK3B (0.48) KDM4EPOLBGSK3BGSK3AF2
SCHEMBL28475407 0.62
SCHEMBL14257142 0.60 LGMN (0.43) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL15910085 0.60 TDP2 (0.32)
SCHEMBL30433929 0.60 TDP2 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889185-A Method of synthesizing isoindolequinones and derivatives thereof THE UNIVERSITY OF AKRON (US) 1999-03-30 US disclosed
WO-1998046567-A1 METHOD OF SYNTHESIZING ISOINDOLEQUINONES AND DERIVATIVES THEREOF THE UNIVERSITY OF AKRON (US) 1998-10-22 WO disclosed