SCHEMBL442311

SCHEMBL442311

Nc1c(C(=O)O)cnc2cc(F)cc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRG1 Q8N1C3 3/20 0.39
GABRG3 Q99928 3/20 0.39
GABRQ Q9UN88 3/20 0.39
KMT2A Q03164 2/20 0.38

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
SCHEMBL6200703 0.83 KDM4E (0.41) KDM4EASPHKDM8GABRPGABRD
SCHEMBL27554928 0.81 KDM4E (0.40) KDM4EASPHKDM8GABRPGABRD
SCHEMBL438266 0.79 KMT2A (0.47) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL25999705 0.77 KDM4E (0.36) KDM4EASPHKDM8GABRPGABRD
SCHEMBL438745 0.75 KEAP1 (0.49) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL438931 0.75 HAVCR2 (0.49) KDM4EASPHKDM8GABRPGABRD
SCHEMBL437520 0.73 AAK1 (0.34) BCHEACHE
SCHEMBL439299 0.73 BCHE (0.34) KMT2ABCHEACHECA1CA2
SCHEMBL2712583 0.73 BCHE (0.39) BCHEACHEMAP4K4
SCHEMBL440033 0.72 KEAP1 (0.49) KMT2AKEAP1HAVCR2BCHEACHE

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed