SCHEMBL29196133

SCHEMBL29196133

CC(C)(C)OC(=O)n1nnc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
PDE8B O95263 1/20 0.33
NR1H2 P55055 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
MAPT P10636 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ADORA1 P30542 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
SCHEMBL4676335 0.77 FAAH (0.40) FAAHHTTATMUSP2SMN1; SMN2
SCHEMBL7355266 0.71 ALDH1A1 (0.37) FAAHALDH1A1HTTATMMAPT
SCHEMBL7346545 0.71 ALDH1A1 (0.50) FAAHALDH1A1ATMMAPTPOLB
SCHEMBL14947703 0.70 ELANE (0.35) FAAHHSP90AA1HSP90AB1NR1H2USP2
SCHEMBL20816365 0.70
SCHEMBL4358478 0.68 FAAH (0.59) FAAHHSP90AA1HSP90AB1HTTATM
SCHEMBL21432286 0.67 KMT2A (0.48) FAAHALDH1A1HSP90AA1HSP90AB1HTT
SCHEMBL27997377 0.65 USP2 (0.38) FAAHNR1H2USP2SMN1; SMN2BCHE
SCHEMBL306662 0.63 HSP90AA1 (0.39) FAAHHSP90AA1HSP90AB1NR1H2SMARCA2
SCHEMBL29471946 0.63 FAAH (0.36) FAAHHTTATMNR1H2USP2

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
CN-117402124-A Aryl sulfonamide compound and anti-influenza application thereof 中国医学科学院医药生物技术研究所 2024-01-16 CN disclosed