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Sugi Predict / Compounds / SCHEMBL3246482

SCHEMBL3246482

SCHEMBL3246482

O=C(O)Oc1cn(CCO)c2c(C(F)(F)F)cc(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.38
▸ S1PR1 P21453 8/20 0.36
▸ P2RX7 Q99572 5/20 0.36
▸ S1PR3 Q99500 2/20 0.35
▸ RORC P51449 4/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL1045449 0.89 METTL3 (0.43) METTL3S1PR1P2RX7S1PR3RORC
SCHEMBL3246472 0.88 METTL3 (0.39) METTL3MRGPRX4
SCHEMBL3241137 0.87 METTL3 (0.40) METTL3P2RX7
SCHEMBL3232649 0.87 METTL3 (0.46) METTL3P2RX7
SCHEMBL3245181 0.86 METTL3 (0.40) METTL3P2RX7
SCHEMBL3234775 0.86 METTL3 (0.40) METTL3P2RX7MRGPRX4
SCHEMBL3243220 0.86 METTL3 (0.38) METTL3
SCHEMBL3240311 0.85 METTL3 (0.42) METTL3S1PR1P2RX7
SCHEMBL3246516 0.85 METTL3 (0.38) METTL3
SCHEMBL3247049 0.84 METTL3 (0.39) METTL3P2RX7

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