SCHEMBL25854658

SCHEMBL25854658

Cc1ccc(S)cc1NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.50
NPC1 O15118 1/20 0.49
HPGD P15428 2/20 0.47
MGLL Q99685 2/20 0.47
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL30475420 0.88 GAA (0.58) GAAALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL30475423 0.88 GAA (0.58) GAAALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL10090771 0.83 HTT (0.62) GAAALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL11137615 0.78 HTT (0.67) ALDH1A1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL682171 0.77 GAA (0.57) GAAALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL31531040 0.75 MEN1 (0.62) GAAKMT2AHTTSMN1; SMN2ATM
SCHEMBL10308040 0.75 MEN1 (0.62) GAAKMT2AHTTSMN1; SMN2ATM
SCHEMBL11086324 0.75 KMT2A (0.76) ALDH1A1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL17372922 0.75 HTT (0.56) GAAALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4385506 0.74 ALPL (0.58) GAAALDH1A1KMT2AHTTHPGD

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-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed