SCHEMBL30604684

SCHEMBL30604684

COC(=O)c1ccc2c(C=O)cn(F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ERN1 O75460 7/20 0.46
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LCK P06239 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 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
SCHEMBL6217117 0.82 CREBBP (0.46) ALDH1A1ERN1HCRTR1HCRTR2CA12
SCHEMBL979534 0.81 NR4A2 (0.47) ALDH1A1ERN1HCRTR1HCRTR2LCK
SCHEMBL15902423 0.77 MEN1 (0.41) ALDH1A1ERN1HCRTR1HCRTR2LCK
SCHEMBL15970936 0.74 MEN1 (0.44) ALDH1A1ERN1HCRTR1HCRTR2CA12
SCHEMBL1607759 0.74 HDAC6 (0.54) ALDH1A1CNR2
SCHEMBL9340023 0.73 ALDH1A1 (0.52) ALDH1A1TDP1MAPTHPGDHSD17B10
SCHEMBL3972960 0.73 ALDH1A1 (0.59) ALDH1A1ERN1KDM4EMAPTHPGD
SCHEMBL17747083 0.73 ALDH1A1 (0.58) ALDH1A1ERN1HCRTR1HCRTR2CA12
SCHEMBL23551502 0.72 CNR2 (0.40) ALDH1A1ERN1HCRTR1HCRTR2LCK
SCHEMBL7422870 0.72 MAPT (0.55) ALDH1A1GAAMAPTCNR2

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
CN-116867768-A STING antagonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-10-10 CN disclosed