SCHEMBL25999705

SCHEMBL25999705

Nc1c(C(=O)O)cnc2cc(F)c(Br)c(O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
GABRA4 P48169 3/20 0.36
GABRE P78334 3/20 0.36
GABRA6 Q16445 3/20 0.36
GABRG1 Q8N1C3 3/20 0.36
GABRG3 Q99928 3/20 0.36
GABRQ Q9UN88 3/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL442311 0.77 KDM4E (0.40) KDM4EASPHKDM8GABRPGABRD
SCHEMBL6200703 0.69 KDM4E (0.41) KDM4EASPHKDM8GABRPGABRD
SCHEMBL6197961 0.68 KDM4E (0.43) KDM4EASPHKDM8GABRPGABRD
SCHEMBL438922 0.68 KDM4E (0.53) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL440378 0.68 HAVCR2 (0.49) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL436994 0.67 HAVCR2 (0.48) KDM4EASPHKDM8GABRPGABRD
SCHEMBL29549879 0.67 EGFR (0.42) KDM4EHPGD
SCHEMBL27053764 0.66 KEAP1 (0.44) KDM4EASPHKDM8KMT2AHPGD
SCHEMBL27053779 0.66 KDM4E (0.46) KDM4EASPHKDM8GABRPGABRD
SCHEMBL10466610 0.66 KDM4E (0.41) KDM4EASPHKDM8GABRPGABRD

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
EP-4219499-A1 A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-08-02 EP disclosed