SCHEMBL31037814

SCHEMBL31037814

COc1ccc(Cc2nc(Cl)c(Oc3ccccc3OC)c(Cl)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHPS P49366 13/20 0.69
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL31037819 0.91 DHPS (0.84) DHPSALDH1A1NPSR1
SCHEMBL31037848 0.90 DHPS (0.70) DHPSALDH1A1MAPTTSHRLMNA
SCHEMBL31037842 0.90 DHPS (0.70) DHPSALDH1A1MAPTTSHRLMNA
SCHEMBL31037801 0.90 DHPS (0.82) DHPSMAPTTSHRMAPK1L3MBTL1
SCHEMBL31037805 0.89 DHPS (0.69) DHPSMAPTTSHRMAPK1L3MBTL1
SCHEMBL31037836 0.89 DHPS (0.69) DHPSMAPTTSHRMAPK1L3MBTL1
SCHEMBL31037821 0.88 DHPS (0.67) DHPSALDH1A1MAPTTSHRMAPK1
SCHEMBL7850977 0.86 DHPS (0.65) DHPSTSHRLMNAHTT
SCHEMBL31037825 0.82 DHPS (0.62) DHPSALDH1A1L3MBTL1
SCHEMBL31037804 0.82 DHPS (0.66) DHPSALDH1A1MAPT

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
CN-118666758-A Anti-melanoma benzyl pyrimidine compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN claimed
CN-118666758-A Anti-melanoma benzyl pyrimidine compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN disclosed