SCHEMBL29525507

SCHEMBL29525507

O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Oc2ccccc2)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.63
▸ RIPK3 Q9Y572 2/20 0.63
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 3/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ FFAR1 O14842 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SIGMAR1 Q99720 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
SCHEMBL29525477 0.83 RIPK3 (0.61) RIPK1RIPK3ALDH1A1MAPK1GAA
SCHEMBL31675008 0.82 LMNA (0.77) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL27858328 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL28492957 0.77 LMNA (0.52) RIPK1RIPK3LMNAKMT2AMEN1
SCHEMBL31675010 0.77 LMNA (0.77) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL826741 0.77 RIPK1 (0.52) RIPK1RIPK3LMNAKMT2AMEN1
SCHEMBL2271165 0.77 KDM4E (0.62) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL10160140 0.76 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL826828 0.75 BRAF (0.57) RIPK1RIPK3LMNAKMT2AMEN1
SCHEMBL8801786 0.74 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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-109053630-B Benzothiazole derivative and application thereof 中国人民解放军第二军医大学 2022-04-01 — — CN claimed
CN-109053630-B Benzothiazole derivative and application thereof 中国人民解放军第二军医大学 2022-04-01 — — CN disclosed
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