SCHEMBL31389296

SCHEMBL31389296

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
MAPT P10636 6/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 4/20 0.49
HTT P42858 3/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADAM17 P78536 1/20 0.47
MMP13 P45452 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CYP1A2 P05177 1/20 0.46

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) ALOX15MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL31389252 0.91 ALOX15 (0.65) ALOX15MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL31389256 0.89 ALOX15 (0.50) ALOX15MAPTTDP1ADAM17
SCHEMBL31389289 0.88 MAPT (0.58) ALOX15MAPTLMNATDP1ADAM17
SCHEMBL31389265 0.88 MAPT (0.50) ALOX15MAPTSMN1; SMN2HTTLMNA
SCHEMBL31389236 0.88 MAPT (0.58) ALOX15MAPTKDM4ESMN1; SMN2HTT
SCHEMBL31389290 0.86 ALOX15 (0.47) ALOX15MAPTTDP1ADAM17
SCHEMBL31389313 0.82 ALOX15 (0.47) ALOX15MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL31389238 0.81 ALOX15 (0.57) ALOX15KDM4ESMN1; SMN2LMNA
SCHEMBL4144311 0.81 LMNA (0.47) KDM4EALDH1A1SMN1; SMN2HPGDLMNA

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