SCHEMBL31037804

SCHEMBL31037804

COc1ccccc1Oc1c(Cl)nc(Cc2cccc(Cl)c2)nc1Cl

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHPS P49366 16/20 0.66
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL31037806 0.92 DHPS (0.80) DHPSALDH1A1
SCHEMBL31037832 0.89 DHPS (0.65) DHPSALDH1A1HTR1AADRA1DADRA1A
SCHEMBL7850977 0.89 DHPS (0.65) DHPS
SCHEMBL31037801 0.88 DHPS (0.82) DHPSMAPT
SCHEMBL31037828 0.88 DHPS (0.63) DHPSMAPT
SCHEMBL31037812 0.88 DHPS (0.63) DHPS
SCHEMBL31037842 0.85 DHPS (0.70) DHPSALDH1A1MAPT
SCHEMBL31037848 0.85 DHPS (0.70) DHPSALDH1A1MAPT
SCHEMBL31037814 0.82 DHPS (0.69) DHPSALDH1A1MAPT
SCHEMBL31037836 0.82 DHPS (0.69) DHPSMAPT

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