SCHEMBL25758885

SCHEMBL25758885

O=C(O)C1Cc2c(F)ccc(F)c2N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GRIA2 P42262 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PTPN7 P35236 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8143867 0.83 CYP1A2 (0.39) GAAMAPTPTPN7CYP2D6TSHR
SCHEMBL27768922 0.76 GAA (0.56) GAAMAPTEGLN1PTPN7
SCHEMBL4999605 0.76 GAA (0.56) GAAMAPTPTPN7
SCHEMBL27375830 0.73 GAA (0.45) GAAMAPT
SCHEMBL27515096 0.73 GAA (0.45) GAAMAPT
SCHEMBL6472971 0.73 EGLN1 (0.43) GAAMAPTGRIA2EGLN1CYP2D6
SCHEMBL27462590 0.72 GAA (0.44) GAAMAPT
SCHEMBL30402802 0.72 ITGB1 (0.35)
SCHEMBL21739383 0.70 KCNH2 (0.33) TSHRMAPK1
SCHEMBL24448407 0.70 GAA (0.45) GAAMAPT

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-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed