SCHEMBL24058564

SCHEMBL24058564

NCCCC[C@H](N)c1noc(CNC(=O)N[C@@H](CO)C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.38
VSIR Q9H7M9 2/20 0.34
CD274 Q9NZQ7 1/20 0.34
CPB2 Q96IY4 5/20 0.34
PRSS1 P07477 4/20 0.33
PRSS2 P07478 4/20 0.33
PRSS3 P35030 4/20 0.33
TPSAB1 Q15661 4/20 0.33
GSR P00390 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL24058460 1.00 FOLH1 (0.38) FOLH1VSIRCD274CPB2PRSS1
SCHEMBL24595229 1.00 FOLH1 (0.38) FOLH1VSIRCD274CPB2PRSS1
SCHEMBL24595303 0.99 FOLH1 (0.38) FOLH1VSIRCD274CPB2PRSS1
SCHEMBL24058854 0.94 FOLH1 (0.45) FOLH1CPB2PRSS1PRSS2PRSS3
SCHEMBL24058650 0.92 FOLH1 (0.43) FOLH1VSIRCD274CPB2PRSS1
SCHEMBL24058693 0.92 FOLH1 (0.43) FOLH1VSIRCD274CPB2PRSS1
SCHEMBL24058562 0.89 FOLH1 (0.33) FOLH1VSIRCD274CPB2PRSS1
SCHEMBL20057150 0.89 VSIR (0.36) VSIRCD274MAPT
SCHEMBL24595363 0.89 ALDH1A1 (0.41) FOLH1CPB2MAPT
SCHEMBL24058491 0.89 ALDH1A1 (0.41) FOLH1CPB2MAPT

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
EP-4023645-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS Aurigene Discovery Technologies Limited (IN) 2022-07-06 EP disclosed
EP-3267984-B1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2021-11-24 EP disclosed