SCHEMBL31529361

SCHEMBL31529361

COC(=O)c1cccc(OCc2ccc(CBr)cc2)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ HPD P32754 6/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL30662860 0.89 KMT2A (0.54) KMT2AHPDALDH1A1SMN1; SMN2MEN1
SCHEMBL26604443 0.89 KMT2A (0.54) KMT2AHPDALDH1A1SMN1; SMN2MEN1
SCHEMBL26401575 0.81 ALDH1A1 (0.51) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL26401595 0.80 ALDH1A1 (0.50) KMT2AHPDALDH1A1SMN1; SMN2MAPT
SCHEMBL30402800 0.80 ALDH1A1 (0.50) KMT2AHPDALDH1A1SMN1; SMN2MAPT
SCHEMBL2521491 0.79 HPGD (0.52) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL28029191 0.79 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4870470 0.78 HPD (0.64) HPDSMN1; SMN2MAPTRAB9A
SCHEMBL2991148 0.78 HTT (0.53) KMT2AHPDALDH1A1SMN1; SMN2RAB9A
SCHEMBL2986814 0.77 HPD (0.57) KMT2AHPDALDH1A1MEN1

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
WO-2025056073-A1 INDAZOLONE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 中国科学院上海药物研究所 2025-03-20 — — WO disclosed
CN-119613374-A Indazolone compound, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-03-14 — — CN disclosed
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