SCHEMBL13316630

SCHEMBL13316630

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.33
CASR P41180 1/20 0.33
CNR2 P34972 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
SYK P43405 1/20 0.30
CFD P00746 2/20 0.30
CTSL P07711 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
CETP P11597 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL13316640 0.89 CCNT1 (0.32) CCNT1CASRCNR2SGMS2CTSS
SCHEMBL13316643 0.83 CCNT1 (0.35) CCNT1CNR2SGMS2CTSKCFD
SCHEMBL13349673 0.78 MPO (0.32)
SCHEMBL13316641 0.76 CCNT1 (0.34) CCNT1CNR2SGMS2CTSKCFD
SCHEMBL21656577 0.74 CTSL (0.36) CTSSCTSKCTSL
SCHEMBL21656297 0.74 RIPK1 (0.39) CTSSCTSKTP53
SCHEMBL13316632 0.71 KDM4C (0.36) ALOX5APFEN1
SCHEMBL21656172 0.71 PRSS1 (0.39) CTSSCTSKCTSL
SCHEMBL30502337 0.69 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL13316668 0.68 S1PR3 (0.39) CNR2CTSSCTSKCTSL

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