SCHEMBL12957421

SCHEMBL12957421

O=Cc1cn(CCO)c2cc(F)c(Cc3cccc(I)c3F)cc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ METTL3 Q86U44 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
SCHEMBL13862215 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL12957311 0.88 METTL3 (0.43) ALDH1A1TDP1METTL3
SCHEMBL12957423 0.84 METTL3 (0.42) ALDH1A1HTTLMNATDP1MEN1
SCHEMBL11956925 0.81 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL13472097 0.81 METTL3 (0.49) METTL3
SCHEMBL13250854 0.81 METTL3 (0.49) METTL3
SCHEMBL11956950 0.80 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL11956943 0.77 — —
SCHEMBL13862191 0.76 — —
SCHEMBL14611649 0.74 METTL3 (0.42) ALDH1A1HTTLMNATDP1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272516-A2 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor Japan Tobacco, Inc. (JP) 2011-01-12 — — EP disclosed
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