SCHEMBL31389263

SCHEMBL31389263

O=C(O)c1cc(OCCOc2cccc3ccccc23)c2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MCL1 Q07820 4/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
KCNA3 P22001 1/20 0.49
PIN1 Q13526 1/20 0.48
NCF1 P14598 3/20 0.48
HTR1B P28222 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
BCL2 P10415 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAD Q92934 2/20 0.47
POLB P06746 2/20 0.47
ALB P02768 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 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
SCHEMBL31389291 0.87 ALOX15 (0.51) ALOX15KDM4EALDH1A1HPGDTDP1
SCHEMBL20515870 0.85 ALOX15 (0.69) ALOX15KDM4EALDH1A1HPGDNCF1
SCHEMBL30438659 0.85 ALOX15 (0.69) ALOX15KDM4EALDH1A1HPGDNCF1
SCHEMBL30438115 0.85 ALOX15 (0.64) ALOX15ALDH1A1HPGDNCF1
SCHEMBL9384536 0.83 ALOX15 (0.62) ALOX15ALDH1A1HPGDNCF1
SCHEMBL31389276 0.83 ALOX15 (0.58) ALOX15ALDH1A1TDP1MCL1MRGPRX4
SCHEMBL31389295 0.82 ALOX15 (0.61) ALOX15ALDH1A1HPGDNCF1
SCHEMBL9385188 0.82 ALOX15 (0.61) ALOX15NCF1
SCHEMBL18528819 0.80 ALOX15 (0.70) ALOX15KDM4EALDH1A1HPGDNCF1
SCHEMBL9378807 0.80 ALOX15 (0.66) ALOX15KDM4EALDH1A1HPGDTDP1

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