SCHEMBL24533285

SCHEMBL24533285

CC(C)(N)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS1 P23219 4/20 0.31
▸ PTGS2 P35354 4/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL22045070 0.93 HPGD (0.38) SMN1; SMN2HPGDHTTMGLLLMNA
SCHEMBL26521168 0.90 SMN1; SMN2 (0.36) AKT1HSD17B10POLBSMN1; SMN2HPGD
SCHEMBL18557382 0.90 AKT1 (0.34) AKT1HSD17B10POLBSMN1; SMN2HPGD
SCHEMBL18494046 0.88 LMNA (0.36) AKT1HSD17B10POLBSMN1; SMN2HPGD
SCHEMBL19696373 0.88 GSK3A (0.34) AKT1HSD17B10POLBSMN1; SMN2HPGD
SCHEMBL24048990 0.87 LMNA (0.33) AKT1HSD17B10POLBSMN1; SMN2HPGD
SCHEMBL18744100 0.87 DUT (0.32) AKT1HSD17B10POLBSMN1; SMN2HPGD
SCHEMBL18639283 0.86 AKT1 (0.34) AKT1HSD17B10POLBSMN1; SMN2HPGD
SCHEMBL18659926 0.86 AKT1 (0.31) AKT1HSD17B10POLBSMN1; SMN2HPGD
SCHEMBL19882361 0.86 AKT1 (0.32) AKT1HSD17B10POLBSMN1; SMN2HPGD

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-2022130046-A1 N-1 BRANCHED IMIDAZOQUINOLINES, CONJUGATES THEREOF, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-06-23 — — WO disclosed
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