SCHEMBL11956108

SCHEMBL11956108

Cc1cn([C@H](CO)C(C)(C)C)c2ccc(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.44
▸ SLC22A12 Q96S37 3/20 0.33
▸ KLKB1 P03952 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ CFD P00746 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 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
SCHEMBL1045210 0.88 METTL3 (0.58) METTL3CFDTP53POLBMAPT
SCHEMBL1045211 0.88 METTL3 (0.58) METTL3CFDTP53POLBMAPT
SCHEMBL13862192 0.88 METTL3 (0.43) METTL3CFD
SCHEMBL11957090 0.87 METTL3 (0.50) METTL3SLC22A12PTPN1CFD
SCHEMBL3239826 0.86 METTL3 (0.50) METTL3SLC22A12PTPN1CFDTP53
SCHEMBL13771406 0.85 METTL3 (0.40) METTL3KLKB1PTPN1CFD
SCHEMBL25726683 0.85 METTL3 (0.49) METTL3CFDTP53POLBMAPT
SCHEMBL13862207 0.84 METTL3 (0.64) METTL3TP53MAPT
SCHEMBL11956939 0.83 METTL3 (0.56) METTL3PTPN1
SCHEMBL11956959 0.82 METTL3 (0.41) METTL3PTPN1

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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