SCHEMBL31437236

SCHEMBL31437236

CCOC(=O)c1nc(Cl)cc(Br)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 3/20 0.43
GLP1R P43220 1/20 0.43
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MAOB P27338 1/20 0.40
TARBP2 Q15633 2/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL26674519 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2GLP1RHSD17B10MAPT
SCHEMBL535659 0.83 NPSR1 (0.42) ALDH1A1HSD17B10NPSR1KDM4EHPGD
SCHEMBL31330704 0.83 NPSR1 (0.42) ALDH1A1HSD17B10NPSR1KDM4EHPGD
SCHEMBL7586395 0.79 ALDH1A1 (0.45) ALDH1A1CYP1A2GLP1RHSD17B10MAPT
SCHEMBL22715659 0.78 KMT2A (0.36) ALDH1A1MAPTHTTMAPK1MAOB
SCHEMBL2527315 0.77 TARBP2 (0.46) ALDH1A1CYP1A2GLP1RHSD17B10MAPT
SCHEMBL30641332 0.77 KDM4E (0.44) ALDH1A1HSD17B10MAPK1MAOBKDM4E
SCHEMBL17840873 0.77 KDM4E (0.44) ALDH1A1HSD17B10MAPK1MAOBKDM4E
SCHEMBL30609423 0.76 LMNA (0.38) MAPTGAALMNA
SCHEMBL535519 0.76 TDP1 (0.43) ALDH1A1HSD17B10MAPTMAPK1KDM4E

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
CN-119894872-A Heteroarenes, pharmaceutical compositions containing heteroarenes, and methods of use thereof 修复治疗公司 2025-04-25 CN disclosed