SCHEMBL31389291

SCHEMBL31389291

COC(=O)c1cc(OCCOc2cccc3ccccc23)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTR1B P28222 2/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ ACKR3 P25106 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ NCF1 P14598 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KCNA3 P22001 1/20 0.45
▸ P2RY12 Q9H244 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
SCHEMBL5090515 0.90 PLA2G2A (0.47) ALOX15KDM4EALDH1A1HPGDTDP1
SCHEMBL31389263 0.87 ALOX15 (0.59) ALOX15KDM4EALDH1A1HPGDTDP1
SCHEMBL90018 0.85 ALOX15 (0.53) ALOX15KDM4EALDH1A1HPGDNCF1
SCHEMBL31389269 0.84 ALOX15 (0.50) ALOX15TDP1KMT2AMAPT
SCHEMBL31389258 0.84 ALOX15 (0.52) ALOX15KDM4ENCF1P2RY12
SCHEMBL9379922 0.84 ALOX15 (0.52) ALOX15KDM4EALDH1A1KMT2ANCF1
SCHEMBL31389238 0.83 ALOX15 (0.57) ALOX15KDM4EP2RY12
SCHEMBL31389266 0.81 ALOX15 (0.55) ALOX15ALDH1A1HPGDTDP1MAPT
SCHEMBL9381350 0.81 ALOX15 (0.55) ALOX15KDM4EALDH1A1POLBKMT2A
SCHEMBL31389287 0.81 ALOX15 (0.46) ALOX15KDM4EHPGDTDP1P2RY12

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
Send feedback