SCHEMBL13316673

SCHEMBL13316673

COc1cc(Cc2cccc(Cl)c2F)cnc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.39
CSF1R P07333 1/20 0.38
EGFR P00533 2/20 0.37
MPO P05164 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36
METTL3 Q86U44 1/20 0.36
LMNA P02545 1/20 0.36
CALM1 P0DP23 1/20 0.35
KCNH2 Q12809 1/20 0.35
DHFR P00374 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13316589 0.77 METTL3 (0.43) CSF1REGFRMPOKMT2AMEN1
SCHEMBL13349641 0.77 METTL3 (0.38) CSF1REGFRKMT2AMEN1METTL3
SCHEMBL13349640 0.77 METTL3 (0.40) CSF1REGFRKMT2AMEN1METTL3
SCHEMBL13316625 0.75 MPO (0.41) MPOKMT2AKCNH2HTT
SCHEMBL13349605 0.74 METTL3 (0.36) CSF1REGFRKMT2AMEN1SRC
SCHEMBL13316676 0.74 P2RX7 (0.34) PDE10ACSF1REGFRMETTL3
SCHEMBL13349627 0.74 METTL3 (0.38) CSF1REGFRKMT2AMEN1METTL3
SCHEMBL13316614 0.73 CYP3A4 (0.42) MPO
SCHEMBL15453555 0.71 LMNA (0.46) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL1104892 0.70 HTR2A (0.46) MPOTAAR1KDM4EALDH1A1MAPK1

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