SCHEMBL6604473

SCHEMBL6604473

O=C(O)c1cc(CCc2ccccc2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
MGAM O43451 1/20 0.47
IGFBP3 P17936 1/20 0.47
IGFBP5 P24593 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
P2RX3 P56373 1/20 0.43
DHODH Q02127 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
SCHEMBL6594884 0.88 PLA2G2A (0.46) ALOX15NPC1RAB9A
SCHEMBL27928660 0.84 ALOX15 (0.58) ALOX15MGAMIGFBP3IGFBP5ALDH1A1
SCHEMBL30744751 0.83 KDM4E (0.59) ALOX15MGAMIGFBP3IGFBP5ALDH1A1
SCHEMBL30744791 0.83 ALOX15 (0.61) ALOX15MGAMIGFBP3IGFBP5ALDH1A1
SCHEMBL6079288 0.82 KDM4E (0.51) IGFBP3IGFBP5CSNK2A2CSNK2BCSNK2A1
SCHEMBL6597624 0.81 KDM4E (0.41) IGFBP5CSNK2A2CSNK2BCSNK2A1KDM4E
Hydrochloric Acid SCHEMBL6080175 0.80 KDM4E (0.40) IGFBP5ALDH1A1HPGDHSD17B10CSNK2A2
SCHEMBL28623461 0.80 ALOX15 (0.54) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL31389295 0.79 ALOX15 (0.61) ALOX15ALDH1A1HPGDHSD17B10NPC1
SCHEMBL11038698 0.78 KDM4E (0.53) ALOX15ALDH1A1HPGDHSD17B10KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
CN-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 CN disclosed