SCHEMBL31389316

SCHEMBL31389316

COC(=O)c1cc(O)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TNKS O95271 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ GABRA1 P14867 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
SCHEMBL561686 1.00 KDM4E (0.54) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL2467305 0.84 ALDH1A1 (0.65) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL72379 0.84 KDM4E (0.70) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL30002312 0.83 SMN1; SMN2 (0.54) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL1733527 0.83 SMN1; SMN2 (0.54) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL2935296 0.83 GABRP (0.48) KDM4EALOX15MEN1KMT2AMAPT
SCHEMBL2908924 0.83 KDM4E (0.49) KDM4EALOX15ALDH1A1MAPTHPGD
SCHEMBL2072605 0.83 ALOX15 (0.77) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL1315731 0.83 KDM4E (0.52) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL31389251 0.83 ALOX15 (0.77) KDM4EALOX15MEN1KMT2AALDH1A1

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
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