SCHEMBL25960385

SCHEMBL25960385

COB(O)c1c(F)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
ENPP2 Q13822 1/20 0.42
NFE2L2 Q16236 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL18778601 0.86 CES2 (0.34) ORAI1ORAI2ORAI3ENPP2NFE2L2
SCHEMBL29429847 0.85 ENPP2 (0.50) ORAI1ORAI2ORAI3ENPP2NFE2L2
SCHEMBL519872 0.85 ENPP2 (0.50) ORAI1ORAI2ORAI3ENPP2NFE2L2
SCHEMBL22972697 0.79 NFE2L2 (0.44) ORAI1ORAI2ORAI3ENPP2NFE2L2
SCHEMBL25720444 0.78 SMN1; SMN2 (0.37) KMT2AHPGDTP53KDM4ELMNA
SCHEMBL203282 0.73 ENPP2 (0.60) ORAI1ORAI2ORAI3ENPP2L3MBTL1
SCHEMBL30868908 0.73 ENPP2 (0.37) ORAI1ORAI2ORAI3ENPP2NFE2L2
SCHEMBL4098184 0.70 KMT2A (0.46) ORAI1ORAI2ORAI3ENPP2NFE2L2
SCHEMBL30050189 0.70 KMT2A (0.46) ORAI1ORAI2ORAI3ENPP2NFE2L2
SCHEMBL19147471 0.70 ENPP2 (0.75) ORAI1ORAI2ORAI3ENPP2NFE2L2

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-2023137406-A1 HETEROARYL COMPOUNDS AS HPK1 INHIBITORS AND METHODS OF USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2023-07-20 WO disclosed