SCHEMBL24769080

SCHEMBL24769080

Cn1c(=O)c2c(nc(NCCO)n2Cc2ccc(F)cc2)n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 11/20 1.00
SMN1; SMN2 Q16637 5/20 0.82
HTT P42858 4/20 0.82
LMNA P02545 4/20 0.82
TP53 P04637 2/20 0.82
MAPT P10636 3/20 0.76
TSHR P16473 2/20 0.76
NPSR1 Q6W5P4 1/20 0.76
ALDH1A1 P00352 1/20 0.70
ATM Q13315 1/20 0.70
MAPK1 P28482 2/20 0.67
GFER P55789 1/20 0.67
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL31575397 0.97 PCSK9 (0.94) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL24770688 0.90 PCSK9 (0.82) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL12604460 0.89 PCSK9 (1.00) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL31575436 0.87 PCSK9 (0.88) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL24770696 0.87 PCSK9 (0.80) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL19560465 0.86 HTT (0.76) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL31159628 0.86 PCSK9 (0.80) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL31575437 0.85 PCSK9 (0.83) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL31575411 0.85 PCSK9 (0.73) PCSK9SMN1; SMN2HTTLMNATP53
SCHEMBL31575429 0.85 PCSK9 (0.73) PCSK9SMN1; SMN2HTTLMNATP53

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-2022262820-A1 GROUP OF IMB-C5 SERIES COMPOUNDS HAVING ANTI-CORONAVIRUS ACTIVITY AND APPLICATION THEREOF 中国医学科学院医药生物技术研究所 2022-12-22 WO disclosed