SCHEMBL25539482

SCHEMBL25539482

CC(C)(C)OC(=O)N1CC(N)=C(NBr)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.42
NR1H2 P55055 2/20 0.42
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.40
NAMPT P43490 2/20 0.39
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
EPHX1 P07099 1/20 0.36
MAPK1 P28482 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL25477218 0.84 USP2 (0.40) ADORA1NR1H2USP2SMN1; SMN2ESR2
SCHEMBL13048672 0.78 ESR2 (0.46) ADORA1NR1H2USP2SMN1; SMN2ESR2
SCHEMBL12435353 0.78 NR1H2 (0.44) ADORA1NR1H2USP2SMN1; SMN2ESR2
SCHEMBL24188025 0.77 NR1H2 (0.51) ADORA1NR1H2USP2SMN1; SMN2ESR2
SCHEMBL2493397 0.73 NR1H2 (0.41) ADORA1NR1H2USP2SMN1; SMN2ESR2
SCHEMBL2292608 0.73 USP2 (0.52) NR1H2USP2SMN1; SMN2ESR2NAMPT
SCHEMBL16786413 0.72 USP2 (0.41) NR1H2USP2SMN1; SMN2ESR2NAMPT
SCHEMBL22056057 0.72 NR1H2 (0.40) ADORA1NR1H2USP2SMN1; SMN2ESR2
SCHEMBL120243 0.71 USP2 (0.50) NR1H2USP2SMN1; SMN2ESR2HDAC1
SCHEMBL13801225 0.71 USP2 (0.50) NR1H2USP2SMN1; SMN2ESR2HDAC1

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
EP-4186907-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA Henan Medinno Pharmaceutical Technology Co., Ltd. (CN) 2023-05-31 EP disclosed