SCHEMBL30396733

SCHEMBL30396733

CC(F)(F)c1cccc2[nH]c(C(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
AHR P35869 1/20 0.50
CHRNA7 P36544 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50

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
SCHEMBL22394964 1.00 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL30310417 0.88 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL1144458 0.88 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL23513291 0.87 HRH4 (0.39) MAPTHRH4RHEBFLT3
SCHEMBL22395008 0.86 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL29425115 0.86 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL22620677 0.81 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL22394992 0.79 EIF4A3 (0.49) KDM4EHSD17B10ALDH1A1HPGDCYP2C19
SCHEMBL29465480 0.79 EIF4A3 (0.49) KDM4EHSD17B10ALDH1A1HPGDCYP2C19
SCHEMBL3417091 0.77 FLT3 (0.60) KDM4EHSD17B10ALDH1A1HPGDMEN1

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
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed