SCHEMBL31752166

SCHEMBL31752166

O=C(CCCc1ccccc1)c1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
DAGLA Q9Y4D2 3/20 0.52
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL8736180 0.82 TBXAS1 (0.47) NPC1RAB9ATDP1DAGLAHDAC3
SCHEMBL6037395 0.81 KMT2A (0.47) NPC1RAB9ASMN1; SMN2CES1GAA
SCHEMBL6432858 0.80 KMT2A (0.46) NPC1RAB9ASMN1; SMN2CES1GAA
SCHEMBL9294432 0.79 TBXAS1 (0.58) NPC1RAB9ATDP1HDAC3HDAC1
SCHEMBL28687106 0.78 TBXAS1 (0.61) NPC1RAB9ADAGLAHDAC3HDAC1
SCHEMBL647801 0.77 NPC1 (0.41) NPC1RAB9ADAGLAHDAC3HDAC1
SCHEMBL13255601 0.77 KMT2A (0.42) NPC1RAB9ADAGLAHDAC3HDAC1
SCHEMBL7589893 0.76 NPC1 (0.44) NPC1RAB9ADAGLACES1FAAH
SCHEMBL5175344 0.76 NPC1 (0.40) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL28848958 0.76 NPC1 (0.40) NPC1RAB9ADAGLAHDAC3HDAC1

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-2025262540-A1 S- AND/OR N-ACYLATED GLUTATHIONE DERIVATIVES DR TEZZA S.R.L. (IT) 2025-12-26 WO disclosed