SCHEMBL31389236

SCHEMBL31389236

COC(=O)c1cc(OCc2ccc(Cl)cc2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADAM17 P78536 1/20 0.47
NOTUM Q6P988 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.47
TP53 P04637 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL31389266 0.92 ALOX15 (0.55) MAPTTDP1LMNAHTTSMN1; SMN2
SCHEMBL31389256 0.89 ALOX15 (0.50) MAPTTDP1ALOX15ADAM17TP53
SCHEMBL31389296 0.88 ALOX15 (0.52) MAPTTDP1LMNAHTTSMN1; SMN2
SCHEMBL31389265 0.88 MAPT (0.50) MAPTTDP1LMNAHTTSMN1; SMN2
SCHEMBL31389289 0.88 MAPT (0.58) MAPTTDP1LMNAALOX15ADAM17
SCHEMBL31389239 0.88 ALOX15 (0.57) MAPTTDP1LMNAHTTSMN1; SMN2
SCHEMBL31389277 0.87 SMN1; SMN2 (0.55) MAPTTDP1HTTSMN1; SMN2KDM4E
SCHEMBL31389290 0.86 ALOX15 (0.47) MAPTTDP1L3MBTL1ALOX15ADAM17
SCHEMBL31389245 0.86 GRM2 (0.52) MAPTTDP1LMNAHTTSMN1; SMN2
SCHEMBL31389238 0.81 ALOX15 (0.57) LMNASMN1; SMN2ALOX15KDM4ETP53

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