SCHEMBL30165249

SCHEMBL30165249

COc1nc(S(C)(=O)=O)nc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
THRB P10828 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRK1 P41145 1/20 0.40
DHODH Q02127 1/20 0.40
VDR P11473 1/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTPN13 Q12923 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
ATM Q13315 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
SCHEMBL23884289 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL23884322 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL23917013 0.82 MEN1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL23884309 0.80 LMNA (0.48) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL23884320 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL23884349 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL23900313 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL23907981 0.73 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL23884164 0.72 SCN9A (0.32) ALDH1A1
SCHEMBL30165244 0.72 SCN9A (0.32) ALDH1A1

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
CN-115916175-A Novel 2-pyrimidinone analogs as potent antiviral agents against alphaviruses 南方研究院 2023-04-04 CN disclosed
EP-4125845-A1 NOVEL 2-PYRIMIDONE ANALOGS AS POTENT ANTIVIRAL AGENTS AGAINST ALPHAVIRUSES Southern Research Institute (US) 2023-02-08 EP disclosed