SCHEMBL31477408

SCHEMBL31477408

COC(=O)[C@H](N)[C@@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
ADRA2C P18825 2/20 0.52
ADRA2A P08913 1/20 0.52
LMNA P02545 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.50
SLC6A4 P31645 1/20 0.49
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
ACHE P22303 1/20 0.45
CHRM2 P08172 1/20 0.44
ADRA1A P35348 1/20 0.44
AOC3 Q16853 1/20 0.44
RGS12 O14924 1/20 0.44

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
SCHEMBL1166933 1.00 KMT2A (0.58) KMT2AADRA2CADRA2ALMNAHIF1A
SCHEMBL2502288 1.00 KMT2A (0.58) KMT2AADRA2CADRA2ALMNAHIF1A
SCHEMBL8229829 1.00 KMT2A (0.58) KMT2AADRA2CADRA2ALMNAHIF1A
Hydrochloric Acid SCHEMBL31477615 0.98 KMT2A (0.56) KMT2AADRA2CADRA2ALMNAHIF1A
Hydrochloric Acid SCHEMBL11337319 0.98 KMT2A (0.56) KMT2AADRA2CADRA2ALMNAHIF1A
Hydrochloric Acid SCHEMBL16295385 0.98 KMT2A (0.56) KMT2AADRA2CADRA2ALMNAHIF1A
SCHEMBL14569757 0.84 ACHE (0.44) KMT2ALMNAALDH1A1ACHEADRA1A
SCHEMBL17065349 0.83 KMT2A (0.60) KMT2ALMNAALDH1A1CYP3A4CYP2D6
SCHEMBL28111441 0.83 KMT2A (0.60) KMT2ALMNAALDH1A1CYP3A4CYP2D6
SCHEMBL16228151 0.82 AOC3 (0.47) KMT2ACYP2D6CYP1A2ACHEAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed