SCHEMBL31027932

SCHEMBL31027932

COC(=O)c1c(C)c([N+](=O)[O-])cc(-c2ccccc2)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ PLIN1 O60240 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ KCNK2 O95069 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ GSR P00390 1/20 0.41

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
SCHEMBL31027926 0.88 TDP1 (0.44) ERN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL31863830 0.73 CRHBP (0.54) ERN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL3956703 0.73 CRHBP (0.54) ERN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL29858616 0.73 LMNA (0.47) KMT2AMEN1LMNAHPGDMAPT
SCHEMBL29192912 0.73 HTT (0.44) ERN1ALDH1A1KMT2AMEN1HTT
SCHEMBL28646250 0.72 CRHBP (0.49) ERN1ALDH1A1TDP1
SCHEMBL8070346 0.71 PDGFRB (0.55) ALDH1A1KMT2AMEN1RAB9AHTT
SCHEMBL27826601 0.71 HTT (0.45) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL2484847 0.70 VCAM1 (0.57) ERN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL28641417 0.69 CRHBP (0.53) ERN1ALDH1A1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406041-A Tazemetostat synthesis method 沈阳药科大学 2024-07-30 — — CN claimed
CN-118406041-A Tazemetostat synthesis method 沈阳药科大学 2024-07-30 — — CN disclosed
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