SCHEMBL31389313

SCHEMBL31389313

COC(=O)c1cc(OCc2cccc(Br)c2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOB P27338 3/20 0.46
TP53 P04637 1/20 0.46
PTGER1 P34995 1/20 0.45
MAOA P21397 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
CCR6 P51684 1/20 0.44
SLC26A3 P40879 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
ADAM17 P78536 1/20 0.43
PARP15 Q460N3 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31389249 1.00 ALOX15 (0.47) ALOX15MAPTTDP1MAOBTP53
SCHEMBL31389266 0.90 ALOX15 (0.55) ALOX15MAPTTDP1TP53ADAM17
SCHEMBL31389289 0.89 MAPT (0.58) ALOX15MAPTTDP1TP53ADAM17
SCHEMBL31389242 0.89 ALOX15 (0.54) ALOX15MAOBPTGER1CYP1A2MRGPRX4
SCHEMBL20877162 0.88 TP53 (0.47) MAPTTP53PTGER1CYP1A2
SCHEMBL17769171 0.86 LMNA (0.50) MAPTTP53PTGER1CYP1A2ALDH1A1
SCHEMBL31389256 0.83 ALOX15 (0.50) ALOX15MAPTTDP1TP53ADAM17
SCHEMBL31389265 0.82 MAPT (0.50) ALOX15MAPTTDP1TP53ADAM17
SCHEMBL31389236 0.82 MAPT (0.58) ALOX15MAPTTDP1TP53GAA
SCHEMBL31389296 0.82 ALOX15 (0.52) ALOX15MAPTTDP1CYP1A2GAA

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-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 CN disclosed