SCHEMBL22499301

SCHEMBL22499301

NC(=O)c1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
TYK2 P29597 4/20 0.42
JAK3 P52333 4/20 0.42
ATR Q13535 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
PARP1 P09874 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GCK P35557 1/20 0.36
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL29965374 1.00 RXRA (0.44) RXRARXRBRXRGJAK2JAK1
SCHEMBL31179070 0.89 RXRA (0.47) RXRARXRBRXRGATRALDH1A1
SCHEMBL22499127 0.89 RXRA (0.47) RXRARXRBRXRGATRALDH1A1
SCHEMBL22499128 0.89 RXRA (0.47) RXRARXRBRXRGATRALDH1A1
SCHEMBL22499231 0.88 RXRA (0.45) RXRARXRBRXRGJAK2JAK1
SCHEMBL23458879 0.87 RXRA (0.40) RXRARXRBRXRGJAK2JAK1
SCHEMBL23481934 0.87 RXRA (0.40) RXRARXRBRXRGJAK2JAK1
SCHEMBL22941293 0.86 CYP11B2 (0.48) RXRARXRBRXRGATRALDH1A1
SCHEMBL23458878 0.83 RXRA (0.41) RXRARXRBRXRGATRALDH1A1
SCHEMBL168052 0.82 DDB1 (0.51) RXRARXRBRXRGATRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3946618-A1 METTL3 INHIBITORY COMPOUNDS Storm Therapeutics Ltd (GB) 2022-02-09 EP disclosed
WO-2020201773-A1 METTL3 INHIBITORY COMPOUNDS STORM THERAPEUTICS LTD (GB) 2020-10-08 WO disclosed
WO-2020201773-A1 METTL3 INHIBITORY COMPOUNDS STORM THERAPEUTICS LTD (GB) 2020-10-08 WO disclosed