SCHEMBL13316624

SCHEMBL13316624

COCc1cc(C(=O)OC)c(=O)n2cc(Cc3cccc(Cl)c3F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
RIPK1 Q13546 2/20 0.38
METTL3 Q86U44 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CFD P00746 5/20 0.37
P2RX7 Q99572 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 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
SCHEMBL13316623 0.91 METTL3 (0.40) KLKB1PDE3BPDE3AMETTL3MRGPRX4
SCHEMBL3618515 0.91 METTL3 (0.44) KLKB1RIPK1METTL3MRGPRX4CFD
SCHEMBL3620368 0.84 PDE3B (0.43) PDE3BPDE3AMRGPRX4ALDH1A1MAPT
SCHEMBL13316621 0.84 PDE3B (0.40) PDE3BPDE3AMRGPRX4ALDH1A1MAPT
SCHEMBL3623481 0.82 METTL3 (0.41) KLKB1METTL3CFDP2RX7PDE4A
SCHEMBL13316622 0.81 PDE3B (0.41) PDE3BPDE3AMRGPRX4ALDH1A1KDM4E
SCHEMBL3628451 0.81 METTL3 (0.42) KLKB1METTL3MRGPRX4CFDP2RX7
SCHEMBL13316644 0.81 PDE3B (0.41) PDE3BPDE3AMETTL3MRGPRX4ALDH1A1
SCHEMBL3624017 0.81 METTL3 (0.43) KLKB1METTL3CFDP2RX7TSHR
SCHEMBL3627969 0.81 PDE3B (0.41) PDE3BPDE3AMETTL3MRGPRX4ALDH1A1

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