SCHEMBL11957090

SCHEMBL11957090

Cc1cn([C@H](CO)C(C)(C)C)c2cc(F)c(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.50
▸ SLC22A12 Q96S37 1/20 0.33
▸ PKM P14618 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CFD P00746 2/20 0.31
▸ THRB P10828 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
SCHEMBL13862207 0.89 METTL3 (0.64) METTL3
SCHEMBL13862208 0.88 METTL3 (0.48) METTL3CFD
SCHEMBL15082529 0.88 METTL3 (0.65) METTL3CFDTHRB
SCHEMBL11948689 0.88 METTL3 (0.64) METTL3SLC22A12PKMCFDTHRB
SCHEMBL11956939 0.88 METTL3 (0.56) METTL3PTPN1
SCHEMBL11956108 0.87 METTL3 (0.44) METTL3SLC22A12PTPN1CFD
SCHEMBL11956954 0.86 METTL3 (0.49) METTL3SLC22A12PKMCFDTHRB
SCHEMBL12413342 0.82 METTL3 (0.42) METTL3PTPN1CFDTHRB
SCHEMBL12107653 0.81 METTL3 (0.46) METTL3PTPN1CFD
SCHEMBL13771406 0.80 METTL3 (0.40) METTL3PTPN1CFD

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
US-8232401-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2012-07-31 — — US disclosed
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