SCHEMBL25822746

SCHEMBL25822746

CNC(=O)CNC(=O)OCc1ccc(NC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.54
TPSD1 Q9BZJ3 3/20 0.54
TPSG1 Q9NRR2 3/20 0.54
PRSS1 P07477 2/20 0.54
ALDH1A1 P00352 2/20 0.45
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL24581748 0.85 TPSAB1 (0.51) TPSAB1TPSD1TPSG1PRSS1ALDH1A1
SCHEMBL27311375 0.85 TPSAB1 (0.51) TPSAB1TPSD1TPSG1PRSS1ALDH1A1
SCHEMBL8426731 0.84 ALDH1A1 (0.60) TPSAB1TPSD1TPSG1PRSS1ALDH1A1
SCHEMBL20160133 0.84 TOP2A (0.49) ALDH1A1CYP3A4LMNANPSR1SMN1; SMN2
SCHEMBL18430370 0.83 L3MBTL1 (0.45) TPSAB1TPSD1TPSG1PRSS1ALDH1A1
SCHEMBL17232558 0.80 SMN1; SMN2 (0.49) TPSAB1TPSD1TPSG1PRSS1LMNA
SCHEMBL25823048 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4LMNANPSR1SMN1; SMN2
SCHEMBL17448403 0.79 SMN1; SMN2 (0.48) TPSAB1TPSD1TPSG1PRSS1LMNA
SCHEMBL24760536 0.79 ALDH1A1 (0.44) TPSAB1PRSS1ALDH1A1LMNACTSL
SCHEMBL19154486 0.79 SMN1; SMN2 (0.48) TPSAB1TPSD1TPSG1PRSS1LMNA

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-3883926-B1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS REGENERON PHARMA (US) 2024-07-10 EP disclosed
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed