SCHEMBL3239627

SCHEMBL3239627

CCOc1cc(Cc2cccc(Cl)c2F)cc2c(=O)c(OC(=O)O)cn([C@@H](C)CO)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TP53 P04637 3/20 0.31
▸ THRB P10828 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PLA2G4A P47712 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 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
SCHEMBL3243314 0.93 METTL3 (0.53) METTL3NPC1TP53PLA2G4AEGFR
SCHEMBL3235235 0.92 METTL3 (0.53) METTL3MRGPRX4TP53THRBRXFP1
SCHEMBL3241758 0.91 METTL3 (0.43) METTL3MRGPRX4TP53THRBRXFP1
SCHEMBL3239885 0.91 METTL3 (0.48) METTL3MRGPRX4PLA2G4A
SCHEMBL1043002 0.91 METTL3 (0.57) METTL3MRGPRX4MEN1NPC1KMT2A
SCHEMBL1043000 0.91 METTL3 (0.57) METTL3MRGPRX4MEN1NPC1KMT2A
SCHEMBL3234887 0.90 METTL3 (0.44) METTL3MRGPRX4MEN1NPC1KMT2A
SCHEMBL3245711 0.90 METTL3 (0.42) METTL3MRGPRX4TP53RXFP1ALDH1A1
SCHEMBL3241571 0.87 METTL3 (0.47) METTL3PLA2G4AEGFR
SCHEMBL3245374 0.86 METTL3 (0.41) METTL3MEN1KMT2ATHRBRXFP1

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
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 — — EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 — — EP claimed
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