SCHEMBL30953779

SCHEMBL30953779

CC1(c2ccccc2)Oc2cc(C(F)(F)F)ccc2-c2nc(N)sc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
SCN4A P35499 1/20 0.38
MPL P40238 2/20 0.35
RORB Q92753 6/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PTGES O14684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PTGS1 P23219 1/20 0.33
RORC P51449 1/20 0.33
HSD11B1 P28845 1/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 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
SCHEMBL30953839 0.85 EPHX2 (0.42) EPHX2SCN4AMPLRORBPTGES
SCHEMBL30953758 0.81 EPHX2 (0.34) EPHX2SCN4AMPLRORBADORA2A
SCHEMBL30953678 0.80 EPHX2 (0.39) EPHX2SCN4AMPLRORBPTGES
SCHEMBL30953589 0.79 EPHX2 (0.40) EPHX2SCN4AMPLRORBPTGES
SCHEMBL30953884 0.78 EPHX2 (0.41) EPHX2SCN4AMPLRORBPTGES
SCHEMBL30953616 0.78 EPHX2 (0.40) EPHX2SCN4AMPLRORBKDM4E
SCHEMBL30953666 0.78 EPHX2 (0.40) EPHX2SCN4AMPLRORBKDM4E
SCHEMBL30953748 0.77 EPHX2 (0.42) EPHX2SCN4AMPLRORBKDM4E
SCHEMBL30953683 0.77 EPHX2 (0.42) EPHX2SCN4AMPLRORBKDM4E
SCHEMBL30953648 0.77 EPHX2 (0.42) EPHX2SCN4AMPLRORBKDM4E

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
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed