SCHEMBL29327617

SCHEMBL29327617

Cc1cc(N2C(=O)C=CC2=O)cc(C)c1N=C=S

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 4/20 0.48
HSP90AA1 P07900 3/20 0.48
MGLL Q99685 12/20 0.40
FAAH O00519 2/20 0.38
G6PD P11413 2/20 0.37
NSD2 O96028 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL29327621 0.79 NSD2 (0.41) CCR6HSP90AA1MGLLFAAHG6PD
SCHEMBL29327563 0.79 G6PD (0.50) CCR6HSP90AA1MGLLFAAHG6PD
SCHEMBL9418757 0.71 CCR6 (0.61) CCR6HSP90AA1MGLLFAAHG6PD
SCHEMBL660089 0.71 GABRA1 (0.39) ALDH1A1LMNAGABRA1GABRB2
SCHEMBL6691307 0.70 HSP90AA1 (0.59) CCR6HSP90AA1MGLLFAAHG6PD
SCHEMBL7767130 0.70 CCR6 (0.59) CCR6HSP90AA1MGLLFAAHG6PD
SCHEMBL6847469 0.69 MGLL (0.58) CCR6HSP90AA1MGLLFAAHMEN1
SCHEMBL1547925 0.69 MIF (0.41) ALDH1A1LMNAHPGDGABRA1GABRB2
SCHEMBL1457241 0.67 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL8957812 0.67 GABRA1 (0.36) ALDH1A1GABRA1GABRB2

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-2024148174-A1 PEPTIDE SEQUENCER OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-11 WO disclosed