SCHEMBL30896410

SCHEMBL30896410

O=[N+]([O-])c1cc2ncn(C3CC3)c2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ HPGD P15428 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ TYMS P04818 1/20 0.33

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
SCHEMBL31613188 0.94 HSD17B10 (0.40) GAAHSD17B10MAPTMAPK1ALDH1A1
SCHEMBL22449397 0.77 ALDH1A1 (0.56) GAAHSD17B10MAPTMAPK1ALDH1A1
SCHEMBL17338776 0.75 FGFR1 (0.55) GAAHSD17B10MAPTMAPK1ALDH1A1
SCHEMBL31613171 0.73 TDP1 (0.38) GAAHSD17B10TDP1KDM5B
SCHEMBL31613186 0.72 L3MBTL1 (0.41) GAAMAPTALDH1A1HPGDPKM
SCHEMBL22449395 0.71 ALDH1A1 (0.53) GAAHSD17B10MAPTMAPK1ALDH1A1
SCHEMBL25335407 0.71 PRPS1 (0.44) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL31062044 0.71 PRPS1 (0.44) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL30896413 0.71 TDP1 (0.38) GAAHSD17B10ALDH1A1PKMTDP1
SCHEMBL7033971 0.70 FGFR1 (0.52) GAAHSD17B10MAPTALDH1A1HPGD

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
EP-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 — — EP 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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