SCHEMBL26425656

SCHEMBL26425656

O=C/C=C/c1ccc(-c2nc(Cc3cccc(Cl)c3)no2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 2/20 0.54
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NOTUM Q6P988 1/20 0.40
DGAT1 O75907 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 3/20 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
SCHEMBL26087633 0.85 NPC1 (0.55) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL31024154 0.85 NPC1 (0.55) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL30407330 0.80 NPC1 (0.47) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL26425660 0.80 NPC1 (0.47) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL26090397 0.80 NPC1 (0.63) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL26425647 0.80 NPC1 (0.63) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL26090239 0.80 HTT (0.63) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL26090728 0.80 HTT (0.63) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL31024148 0.80 HTT (0.63) NPC1RAB9AHTTERCC1ERCC4
SCHEMBL30407337 0.79 RAB9A (0.51) NPC1RAB9AHTTERCC1ERCC4

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-2023069721-A2 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 CARMOT THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed