SCHEMBL31218587

SCHEMBL31218587

CN(C)CCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.49
XDH P47989 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RXRA P19793 2/20 0.48
HTR3A P46098 1/20 0.44
TOP2A P11388 1/20 0.43
S100A4 P26447 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
CYP2D6 P10635 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT6 P42226 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL80507 0.84 TDP1 (0.61) ALDH1A1S100A4TDP1L3MBTL1LMNA
SCHEMBL11955368 0.83 TDP1 (0.55) ALDH1A1S100A4TDP1L3MBTL1LMNA
SCHEMBL29391896 0.82 S100A4 (0.47) MPOXDHALDH1A1RXRATOP2A
SCHEMBL18071858 0.82 TDP1 (0.54) ALDH1A1S100A4TDP1L3MBTL1LMNA
SCHEMBL7846871 0.82 TDP1 (0.54) ALDH1A1S100A4TDP1L3MBTL1LMNA
SCHEMBL5011561 0.82 TDP1 (0.54) ALDH1A1S100A4TDP1L3MBTL1LMNA
SCHEMBL5007718 0.81 ALDH1A1 (0.64) ALDH1A1S100A4TDP1L3MBTL1CYP1A2
SCHEMBL14452202 0.81 S100A4 (0.43) ALDH1A1S100A4TDP1L3MBTL1TSHR
SCHEMBL29396554 0.81 ALDH1A1 (0.64) ALDH1A1S100A4TDP1L3MBTL1CYP1A2
SCHEMBL10067790 0.80 ALDH1A1 (0.58) ALDH1A1S100A4TDP1L3MBTL1CYP1A2

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
EP-4705394-A2 DISPERSE DYES FOR DYEING POLYESTER FIBRES University of Leeds (GB) 2026-03-11 EP disclosed
WO-2024228036-A2 DYE COMPOUNDS AND METHODS OF USING UNIVERSITY OF LEEDS (GB) 2024-11-07 WO disclosed