SCHEMBL27230100

SCHEMBL27230100

COc1ccc(C(N)=NO)c(N)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.70
ALDH1A1 P00352 9/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
THRB P10828 2/20 0.50
RECQL P46063 2/20 0.50
KDM4E B2RXH2 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 3/20 0.46
RAD52 P43351 1/20 0.46
CYP3A4 P08684 3/20 0.43
NOS2 P35228 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
APP P05067 1/20 0.41
SNCA P37840 1/20 0.41

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
SCHEMBL28521249 0.87 GAA (0.67) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL17730480 0.82 GAA (0.70) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL28104071 0.82 GAA (1.00) GAAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL17730478 0.82 GAA (0.70) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL3340477 0.81 GAA (0.68) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL3340475 0.81 GAA (0.68) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL27842777 0.81 GAA (0.68) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL28104055 0.79 GAA (0.75) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL148855 0.78 ALDH1A1 (0.53) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL16816373 0.77 GAA (0.67) GAAALDH1A1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4623091-A1 METHODS FOR IMPROVING PRODUCTION OF NATURAL KETONES Agency for Science, Technology and Research (SG) 2025-10-01 EP disclosed
EP-4623091-A1 METHODS FOR IMPROVING PRODUCTION OF NATURAL KETONES Agency for Science, Technology and Research (SG) 2025-10-01 EP disclosed
WO-2024220576-A2 PRODUCTION OF MONOTERPENE INDOLE ALKALOID COMPOUNDS IN A HETEROLOGOUS HOST ATAI Life Sciences AG (DE) 2024-10-24 WO disclosed
WO-2024112261-A1 METHODS FOR IMPROVING PRODUCTION OF NATURAL KETONES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2024-05-30 WO disclosed
WO-2024112261-A1 METHODS FOR IMPROVING PRODUCTION OF NATURAL KETONES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2024-05-30 WO disclosed