SCHEMBL31753697

SCHEMBL31753697

[2H]C([2H])([2H])n1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
KAT6A Q92794 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NAMPT P43490 1/20 0.43
CYP17A1 P05093 1/20 0.41
BRD4 O60885 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL31753473 0.92 NPC1 (0.61) NPC1RAB9APRMT5WDR77KAT6A
SCHEMBL31753707 0.77 NPC1 (0.61) NPC1RAB9AHDAC1ALDH1A1SMN1; SMN2
SCHEMBL31753001 0.77 SMN1; SMN2 (0.58) RAB9APRMT5WDR77KAT6AHDAC3
SCHEMBL31396764 0.76 KMT2A (0.59) NPC1RAB9APRMT5WDR77KAT6A
SCHEMBL21218896 0.74 LMNA (0.60) PRMT5WDR77KAT6AHDAC3HDAC1
SCHEMBL13010674 0.74 NPC1 (0.57) NPC1RAB9APRMT5WDR77KAT6A
SCHEMBL13472107 0.73 SMN1; SMN2 (0.54) NPC1RAB9ACYP17A1LMNAALDH1A1
SCHEMBL29867230 0.73 CYP1A2 (0.61) NPC1RAB9AKAT6AHDAC3HDAC1
SCHEMBL5337975 0.73 CYP1A2 (0.61) NPC1RAB9AKAT6AHDAC3HDAC1
SCHEMBL7074306 0.73 NAMPT (0.57) NPC1RAB9APRMT5WDR77KAT6A

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-2025264818-A1 STAT6 MODULATORS AND METHODS OF USES THEREOF RAYTHERA, INC. (US) 2025-12-26 WO disclosed