SCHEMBL24766871

SCHEMBL24766871

NCCOCCNC(=O)CCCCC1SCC2NC(O)NC21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
TPSAB1 Q15661 3/20 0.47
F2 P00734 2/20 0.47
PKM P14618 2/20 0.45
FOLH1 Q04609 3/20 0.44
PLG P00747 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PLCD1 P51178 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
HSP90AB1 P08238 1/20 0.38
NOXO1 Q8NFA2 1/20 0.38
KDM1A O60341 3/20 0.38

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
SCHEMBL22364111 0.89 TDP1 (0.47) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18881123 0.88 TDP1 (0.49) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL13907111 0.86 PRSS1 (0.48) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21206321 0.86 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL20123269 0.86 TDP1 (0.50) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL14453890 0.82 PRSS1 (0.66) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL19543686 0.82 PRSS1 (0.66) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL19034456 0.82 TDP1 (0.45) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24767224 0.82 PKM (0.46) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24163378 0.81 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2

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-2022257383-A1 METHOD FOR CAPTURING MODIFIED NUCLEIC ACID AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2022-12-15 WO disclosed