SCHEMBL31453644

SCHEMBL31453644

C#Cc1ccc(N(C)C(=O)/C=C/C(=O)OCC)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 4/20 0.39
TTR P02766 1/20 0.34
DPP4 P27487 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PGR P06401 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MDM2 Q00987 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL31453611 0.83 NR4A1 (0.35) MAPTLMNAALDH1A1PGRMEN1
SCHEMBL31453677 0.82 ALDH1A1 (0.45) MAPTL3MBTL1LMNAALDH1A1TTR
SCHEMBL31453578 0.82 MAPT (0.43) MAPTL3MBTL1LMNAALDH1A1TTR
SCHEMBL31453580 0.81 MAPT (0.42) MAPTL3MBTL1LMNAALDH1A1TTR
SCHEMBL31453570 0.80 MAPT (0.41) MAPTL3MBTL1LMNAALDH1A1TTR
SCHEMBL31453548 0.77 NR1H4 (0.40) MAPTLMNAALDH1A1TTRDPP4
SCHEMBL31453639 0.76 MAPT (0.38) MAPTL3MBTL1LMNAALDH1A1TTR
SCHEMBL31453654 0.75 CYP3A4 (0.40) MAPTL3MBTL1LMNAALDH1A1TTR
SCHEMBL31453735 0.74 ALDH1A1 (0.41) MAPTL3MBTL1LMNAALDH1A1TTR
SCHEMBL31453666 0.74 HSD17B1 (0.45) MAPTL3MBTL1LMNAALDH1A1HCAR2

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-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed