SCHEMBL10466610

SCHEMBL10466610

O=C(O)c1cnc2cc(F)c(C(=O)O)c(F)c2c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ASPH Q12797 3/20 0.41
KDM8 Q8N371 2/20 0.41
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 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
SCHEMBL10466175 0.76 KDM4E (0.43) KDM4EASPHKDM8KMT2AGABRP
SCHEMBL10464792 0.72 KDM4E (0.40) KDM4EASPHKDM8KMT2AGABRP
SCHEMBL10464638 0.70 KDM4E (0.44) KDM4EASPHKDM8KMT2AGABRP
SCHEMBL1713473 0.69 KEAP1 (0.44) KDM4EASPHKDM8KMT2AKEAP1
SCHEMBL10466289 0.68 ALDH1A1 (0.43) KDM4EKMT2ADHODHNAPRT
SCHEMBL6200703 0.68 KDM4E (0.41) KDM4EASPHKDM8KMT2AKEAP1
SCHEMBL8994430 0.68 CA1 (0.48) KDM4EASPHKDM8KMT2AKEAP1
SCHEMBL10465989 0.67 KDM4E (0.44) KDM4EASPHKDM8KMT2AGABRP
SCHEMBL6197961 0.67 KDM4E (0.43) KDM4EASPHKDM8KMT2AKEAP1
SCHEMBL27554928 0.67 KDM4E (0.40) KDM4EASPHKDM8KEAP1NFE2L2

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-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed