SCHEMBL30896387

SCHEMBL30896387

Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.59
▸ HTT P42858 5/20 0.59
▸ LMNA P02545 5/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ PKM P14618 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 9/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ GAA P10253 1/20 0.43
▸ ATAD2 Q6PL18 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL30349789 0.80 MAPT (0.61) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL28991107 0.80 MAPT (0.61) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL15324212 0.79 MAPT (0.59) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL15005983 0.79 MAPT (0.59) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL1115747 0.79 MAPT (0.59) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL28991080 0.76 TDP1 (0.66) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL9379101 0.75 MAPT (1.00) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL30993758 0.75 MAPT (0.46) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL1115708 0.74 MAPT (0.62) MAPTHTTLMNAKDM4ENPSR1
SCHEMBL30896394 0.73 LMNA (0.46) MAPTHTTLMNAKDM4ENPSR1

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-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 — — EP disclosed
CN-120129677-A Compounds and their use for the treatment of heme lesions 百时美施贵宝公司 2025-06-10 — — CN disclosed
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 — — WO disclosed
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