SCHEMBL30953758

SCHEMBL30953758

CC1(CCc2ccccc2)Oc2cc(C(F)(F)F)ccc2-c2nc(N)sc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
SCN4A P35499 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP19A1 P11511 1/20 0.34
ADORA2A P29274 2/20 0.33
PTGES O14684 3/20 0.33
PTGS1 P23219 1/20 0.32
ADORA1 P30542 1/20 0.32
MPL P40238 1/20 0.32
RORB Q92753 3/20 0.32
ASAH1 Q13510 1/20 0.32
BACE1 P56817 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL30953832 0.83 EPHX2 (0.34) EPHX2SCN4APTGESPTGS1MPL
SCHEMBL30953627 0.83 EPHX2 (0.34) EPHX2SCN4APTGESPTGS1MPL
SCHEMBL30953779 0.81 EPHX2 (0.38) EPHX2SCN4ACYP11B1CYP11B2ADORA2A
SCHEMBL30953839 0.80 EPHX2 (0.42) EPHX2SCN4APTGESPTGS1MPL
SCHEMBL30953678 0.77 EPHX2 (0.39) EPHX2SCN4APTGESMPLRORB
SCHEMBL30953616 0.76 EPHX2 (0.40) EPHX2SCN4AMPLRORBBACE1
SCHEMBL30953589 0.74 EPHX2 (0.40) EPHX2SCN4APTGESPTGS1MPL
SCHEMBL30953882 0.74 EPHX2 (0.37) EPHX2SCN4AADORA1MPLRORB
SCHEMBL30953683 0.73 EPHX2 (0.42) EPHX2SCN4AMPLRORBBACE1
SCHEMBL30953748 0.73 EPHX2 (0.42) EPHX2SCN4AMPLRORBBACE1

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