SCHEMBL18895693

SCHEMBL18895693

CCCCCCc1cnc(C(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
KCNH2 Q12809 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARA Q07869 1/20 0.33
MGAT2 Q10469 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL22453964 0.83 FAAH (0.35) EPHX2PPARAELANE
SCHEMBL13450366 0.77 CCNB2 (0.33)
SCHEMBL5536581 0.77 MAPT (0.37) MAPTKCNH2TLR7KDM4EMEN1
SCHEMBL1520366 0.77 TDP1 (0.34) MAPTKCNH2TLR7KDM4EMEN1
SCHEMBL5536577 0.75 MAPT (0.36) MAPTKCNH2TLR7KDM4EMEN1
SCHEMBL5538019 0.74 TDP1 (0.35) MAPTKCNH2TLR7KDM4EMEN1
SCHEMBL2062290 0.74 PPARA (0.36) MAPTKCNH2TLR7KDM4EMEN1
SCHEMBL5538016 0.73 TDP1 (0.34) MAPTKCNH2TLR7KDM4EMEN1
SCHEMBL3733911 0.73 SIRT2 (0.37) MAPTKCNH2TLR7EPHX2
SCHEMBL4560384 0.73 TLR7 (0.44) MAPTTLR7KDM4EMEN1USP2

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-9663466-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663466-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed