SCHEMBL30953882

SCHEMBL30953882

COCC1(COC)Oc2cc(C(F)(F)F)ccc2-c2nc(N)sc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
MPL P40238 4/20 0.34
RORB Q92753 4/20 0.34
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
ADORA1 P30542 2/20 0.32
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30

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
SCHEMBL30953678 0.88 EPHX2 (0.39) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953616 0.86 EPHX2 (0.40) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953839 0.82 EPHX2 (0.42) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953581 0.79 EPHX2 (0.39) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953779 0.77 EPHX2 (0.38) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953683 0.76 EPHX2 (0.42) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953748 0.76 EPHX2 (0.42) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953648 0.76 EPHX2 (0.42) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953764 0.76 EPHX2 (0.41) EPHX2SCN4AMPLRORBMYC
SCHEMBL30953693 0.76 EPHX2 (0.41) EPHX2SCN4AMPLRORBMYC

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