SCHEMBL31361585

SCHEMBL31361585

COC1CC(Oc2nc(SC)ncc2C(=O)Nc2c(Cl)cccc2Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.46
RXFP1 Q9HBX9 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.41
AHR P35869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 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
SCHEMBL31361629 0.90 KMT2A (0.47) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL31361688 0.88 RXFP1 (0.46) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL31361649 0.87 RXFP1 (0.44) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL31361632 0.84 PDE4B (0.55) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL31361675 0.83 DHODH (0.46) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL31361663 0.81 KMT2A (0.50) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL31361724 0.80 KMT2A (0.54) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL31361701 0.80 KMT2A (0.46) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL31361690 0.80 KMT2A (0.48) PDE4BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL16824917 0.80 RXFP1 (0.55) PDE4BRXFP1KMT2AMEN1ALDH1A1

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-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed