SCHEMBL28458030

SCHEMBL28458030

O=C(O)N1CC=C(c2cc(Cl)cc3c2cnn3C2CCCCO2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ATR Q13535 3/20 0.37
JAK1 P23458 6/20 0.35
NAMPT P43490 8/20 0.35
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL21894615 0.87 JAK1 (0.47) JAK1NAMPT
SCHEMBL21796952 0.80 RXRA (0.44) RXRARXRBRXRGATRJAK1
SCHEMBL23478560 0.80 RXRA (0.44) RXRARXRBRXRGATRJAK1
SCHEMBL21894614 0.79 RXRA (0.35) RXRARXRBRXRGATR
SCHEMBL21796778 0.78 RXRA (0.50) RXRARXRBRXRGNAMPT
SCHEMBL21796566 0.78 RXRA (0.42) RXRARXRBRXRGATRJAK1
SCHEMBL30811759 0.77 RXRA (0.47) RXRARXRBRXRGATR
SCHEMBL21894611 0.74 CDK9 (0.35) RXRARXRBRXRGATRJAK1
SCHEMBL23779872 0.74 JAK1 (0.43) JAK1
SCHEMBL25413737 0.73 RXRA (0.44) RXRARXRBRXRGATR

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
CN-111943890-B Pharmaceutical compounds 艾欧米制药有限公司 2023-10-31 CN disclosed
CN-111943890-A Pharmaceutical compounds 艾欧米制药有限公司 2020-11-17 CN disclosed
CN-107108556-B Pharmaceutical compounds 艾欧米制药有限公司 2020-09-29 CN disclosed