SCHEMBL13316623

SCHEMBL13316623

COC(=O)c1cc(CO)c2ccc(Cc3cccc(Cl)c3F)cn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CFD P00746 8/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
KLKB1 P03952 1/20 0.36
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL13316624 0.91 KLKB1 (0.41) METTL3PDE3BPDE3AHPGDLMNA
SCHEMBL3624155 0.88 METTL3 (0.42) METTL3CFDMRGPRX4PDE4APDE4B
SCHEMBL3620368 0.85 PDE3B (0.43) PDE3BPDE3AHPGDLMNAKDM4E
SCHEMBL3627969 0.83 PDE3B (0.41) METTL3PDE3BPDE3AHPGDLMNA
SCHEMBL3618515 0.83 METTL3 (0.44) METTL3CFDMRGPRX4KLKB1
SCHEMBL3623481 0.82 METTL3 (0.41) METTL3CFDKLKB1PDE4APDE4B
SCHEMBL13316622 0.82 PDE3B (0.41) PDE3BPDE3AHPGDKDM4EALDH1A1
SCHEMBL3628451 0.82 METTL3 (0.42) METTL3CFDMRGPRX4KLKB1PDE4A
SCHEMBL13316644 0.81 PDE3B (0.41) METTL3PDE3BPDE3AHPGDKDM4E
SCHEMBL3624017 0.81 METTL3 (0.43) METTL3CFDKLKB1P2RX7

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