SCHEMBL31738171

SCHEMBL31738171

CC(C)(C)OC(=O)NNc1cccc(Cl)c1Br

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ LCK P06239 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ STS P08842 1/20 0.37

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
SCHEMBL15296459 0.85 ALDH1A1 (0.46) MEN1KMT2ALMNAPOLBHSP90AA1
SCHEMBL4371076 0.85 NPC1 (0.51) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL22989775 0.82 GAA (0.46) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL15600324 0.80 GAA (0.56) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL31738259 0.79 GAA (0.51) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL22989973 0.75 LMNA (0.49) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL22989810 0.75 GAA (0.55) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL28774333 0.74 RAB9A (0.47) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL31738321 0.74 GAA (0.44) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL16774987 0.74 GAA (0.52) NPC1RAB9AGAAMEN1KMT2A

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-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 — — WO disclosed
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