SCHEMBL3246672

SCHEMBL3246672

COC(=O)Oc1cn(CCO)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ METTL3 Q86U44 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 7/20 0.35
▸ MAPT P10636 6/20 0.35
▸ POLB P06746 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL3239637 0.90 SLC22A12 (0.39) CNR2LMNASLC22A12METTL3ALDH1A1
SCHEMBL1043280 0.87 CNR2 (0.42) CNR2LMNASLC22A12ALDH1A1TP53
SCHEMBL3240020 0.84 CNR2 (0.38) CNR2LMNASLC22A12METTL3ALDH1A1
SCHEMBL3239179 0.84 CNR2 (0.40) CNR2LMNASLC22A12METTL3ALDH1A1
SCHEMBL3247047 0.84 CNR1 (0.39) CNR2LMNASLC22A12METTL3ALDH1A1
SCHEMBL3237634 0.84 TP53 (0.41) LMNAMETTL3ALDH1A1TP53MAPT
SCHEMBL3247125 0.83 CNR2 (0.41) CNR2LMNASLC22A12METTL3ALDH1A1
SCHEMBL3243374 0.83 LMNA (0.38) CNR2LMNASLC22A12ALDH1A1TP53
SCHEMBL3245040 0.83 MTNR1A (0.38) CNR2LMNASLC22A12ALDH1A1TP53
SCHEMBL3246552 0.83 CNR2 (0.39) CNR2LMNASLC22A12METTL3ALDH1A1

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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