SCHEMBL13316643

SCHEMBL13316643

CC(C)(C)OC(=O)CC(C=O)c1ncc(Cc2cccc(Cl)c2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.35
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CNR2 P34972 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
CTSK P43235 1/20 0.31
METTL3 Q86U44 1/20 0.31
CETP P11597 1/20 0.30
CFD P00746 1/20 0.30
KMO O15229 1/20 0.30
P2RX7 Q99572 1/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL13316641 0.89 CCNT1 (0.34) CCNT1ALOX5APFEN1CNR2SGMS2
SCHEMBL13316630 0.83 CCNT1 (0.33) CCNT1ALOX5APFEN1CNR2SGMS2
SCHEMBL13349669 0.79 MPO (0.32) SGMS2KMOMPO
SCHEMBL13316640 0.76 CCNT1 (0.32) CCNT1CNR2SGMS2CTSKCFD
SCHEMBL13316668 0.74 S1PR3 (0.39) CNR2CTSK
SCHEMBL13316633 0.72 KDM4C (0.36) ALOX5APFEN1
SCHEMBL19208107 0.68 P2RX7 (0.41) CCNT1CFDP2RX7
SCHEMBL13316625 0.68 MPO (0.41) SGMS2P2RX7MPO
SCHEMBL13316666 0.67 S1PR3 (0.40) CNR2SGMS2CTSK
SCHEMBL13349710 0.67 CXCR2 (0.32) CNR2METTL3

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-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed