SCHEMBL11669307

SCHEMBL11669307

O=C(O)c1nn(CCF)c2cc3c(cc2c1=O)OCO3

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.76
▸ KDM4E B2RXH2 4/20 0.76
▸ LMNA P02545 1/20 0.76
▸ TSHR P16473 1/20 0.76
▸ BLM P54132 1/20 0.76
▸ PMP22 Q01453 1/20 0.76
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.39
▸ EDNRB P24530 5/20 0.36
▸ EDNRA P25101 4/20 0.36

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
SCHEMBL11154799 0.89 ALDH1A1 (0.82) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11148183 0.87 ALDH1A1 (0.78) ALDH1A1KDM4ELMNATSHRBLM
Cinoxacin SCHEMBL43770 0.86 KDM4E (1.00) ALDH1A1KDM4ELMNATSHRBLM
Cinoxacin SCHEMBL29471771 0.86 KDM4E (1.00) ALDH1A1KDM4ELMNATSHRBLM
Cinoxacin SCHEMBL28034323 0.85 KDM4E (0.97) ALDH1A1KDM4ELMNATSHRBLM
Cinoxacin SCHEMBL28034322 0.85 KDM4E (0.97) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11035052 0.83 ALDH1A1 (0.72) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11156978 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL16450335 0.76 ALDH1A1 (0.81) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11153077 0.76 ALDH1A1 (0.81) ALDH1A1KDM4ELMNATSHRBLM

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
JP-52142097-A — — None — — JP disclosed
JP-S52142097-A 6,7-ALKYLENEDIOXY-1-FLUOROALKYL-491H)-OXOCINNOLINE-3-CARBOXYLIC ACID DERIVATIVES SUMITOMO CHEM CO LTD 1977-11-26 — — JP disclosed
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