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SCHEMBL22894852

SCHEMBL22894852

COc1ccc(CN(Cc2ccc(OC)cc2)SC(C)C(C)C/C=C/B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.32
▸ APLNR P35414 2/20 0.31
▸ UCHL1 P09936 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30

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
SCHEMBL22894851 0.79 APLNR (0.45) APLNR
SCHEMBL25209623 0.79 APLNR (0.45) APLNR
SCHEMBL18681799 0.76 SMN1; SMN2 (0.45) PYCR1APLNRSLC6A4
SCHEMBL18681951 0.76 SMN1; SMN2 (0.45) PYCR1APLNRSLC6A4
SCHEMBL20629700 0.76 SMN1; SMN2 (0.45) PYCR1APLNRSLC6A4
SCHEMBL13149137 0.75 IDO1 (0.39) UCHL1GLANPSR1SLC6A4
SCHEMBL28686206 0.72 CA1 (0.37) NPSR1
SCHEMBL22894691 0.71 PYCR1 (0.49) PYCR1APLNRNPSR1SLC6A4
SCHEMBL21700329 0.65 SMN1; SMN2 (0.43) PYCR1APLNRSLC6A4
SCHEMBL21761386 0.64 SMN1; SMN2 (0.42) PYCR1APLNRSLC6A4

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-2023088894-A1 MACROCYCLIC 2-AMINO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-05-25 — — WO disclosed
WO-2021005043-A1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-14 — — WO disclosed