SCHEMBL24728301

SCHEMBL24728301

CNC(C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 5/20 0.42
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SPHK1 Q9NYA1 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPY4R P50391 3/20 0.35
▸ NPY1R P25929 2/20 0.35
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ REN P00797 1/20 0.35

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
SCHEMBL20206643 1.00 FURIN (0.42) FURINHTTSMN1; SMN2SPHK1POLB
SCHEMBL14234316 1.00 FURIN (0.42) FURINHTTSMN1; SMN2SPHK1POLB
SCHEMBL21965275 0.97 FURIN (0.41) FURINHTTSMN1; SMN2SPHK1SIRT1
SCHEMBL27291528 0.92 FURIN (0.49) FURINHTTSMN1; SMN2SPHK1POLB
SCHEMBL17133811 0.91 FURIN (0.45) FURINHTTSMN1; SMN2POLBLMNA
SCHEMBL21122921 0.91 FURIN (0.41) FURINHTTSMN1; SMN2POLBLMNA
SCHEMBL17133812 0.91 FURIN (0.45) FURINHTTSMN1; SMN2POLBLMNA
SCHEMBL24414345 0.91 FURIN (0.41) FURINHTTSMN1; SMN2SPHK1POLB
SCHEMBL16847753 0.91 FURIN (0.43) FURINHTTSMN1; SMN2POLBLMNA
SCHEMBL23386894 0.90 SPHK1 (0.45) FURINHTTSPHK1POLBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061457-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 百奥泰生物制药股份有限公司 2023-04-20 — — WO disclosed
WO-2022253284-A1 DRUG CONJUGATE AND USE THEREOF 百奥泰生物制药股份有限公司 2022-12-08 — — WO disclosed
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