SCHEMBL13316625

SCHEMBL13316625

Fc1c(Cl)cccc1Cc1cnc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
AKR1B1 P15121 1/20 0.37
SGMS2 Q8NHU3 1/20 0.34
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
PNMT P11086 1/20 0.33
PTPN1 P18031 1/20 0.33
P2RX7 Q99572 1/20 0.33
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
KCNH2 Q12809 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 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
SCHEMBL13316614 0.83 CYP3A4 (0.42) MPOAKR1B1SGMS2RXRAGRIN1
SCHEMBL13316629 0.81 MPO (0.36) MPOAKR1B1SGMS2RXRAGRIN1
SCHEMBL17436168 0.79 HDAC6 (0.43) HTTKMT2A
SCHEMBL13316673 0.75 PDE10A (0.39) MPOKCNH2HTTKMT2A
SCHEMBL13316638 0.75 MPO (0.34) MPOAKR1B1RXRAGRIN1GRIN2B
SCHEMBL13349673 0.74 MPO (0.32) MPOKMT2A
SCHEMBL13349669 0.74 MPO (0.32) MPOAKR1B1SGMS2
SCHEMBL27769730 0.71 LTA4H (0.45) P2RX7
SCHEMBL16016407 0.71 MPO (0.38) MPOAKR1B1SGMS2RXRAGRIN1
SCHEMBL16016398 0.70 KMT2A (0.45) MPOP2RX7HTTKMT2A

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