SCHEMBL21067997

SCHEMBL21067997

O=C1OCC/C1=C\Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 1.00
HSP90AB1 P08238 3/20 1.00
NAMPT P43490 1/20 0.81
GAA P10253 3/20 0.68
MAPK1 P28482 1/20 0.68
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.41
DYRK1A Q13627 4/20 0.41
DYRK1B Q9Y463 4/20 0.41
DYRK2 Q92630 3/20 0.41
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL1310394 1.00 HSP90AA1 (1.00) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL2837762 0.86 HSP90AA1 (0.75) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL13652557 0.85 HSP90AA1 (0.73) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL1311373 0.85 HSP90AA1 (0.73) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL1310766 0.81 GAA (1.00) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL1310441 0.77 HSP90AA1 (0.62) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL1309879 0.77 HSP90AA1 (0.61) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL10803827 0.75 HSP90AA1 (0.59) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL1310500 0.75 KMT2A (0.60) HSP90AA1HSP90AB1NAMPTGAAMAPK1
SCHEMBL8883066 0.72 ALDH1A1 (0.57) HSP90AA1HSP90AB1NAMPTGAAMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed