SCHEMBL28524552

SCHEMBL28524552

O=C(Nc1ncc([N+](=O)[O-])s1)C1CCN(S(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.62
▸ MEN1 O00255 6/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ GAA P10253 2/20 0.62
▸ ATG4B Q9Y4P1 1/20 0.51
▸ EPHX2 P34913 1/20 0.49
▸ NPC1 O15118 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CTDSP1 Q9GZU7 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MBTD1 Q05BQ5 1/20 0.44
▸ L3MBTL3 Q96JM7 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28525534 0.90 RAB9A (0.67) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28908921 0.85 MEN1 (0.68) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28531250 0.84 KMT2A (0.67) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28531603 0.84 SMN1; SMN2 (0.67) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28519087 0.84 MEN1 (0.67) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28531349 0.81 RAB9A (0.66) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28148326 0.72 STAT3 (0.56) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28535984 0.72 MEN1 (0.58) KMT2AMEN1SMN1; SMN2RAB9AATG4B
Hydrochloric Acid SCHEMBL28535988 0.71 MEN1 (0.57) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28518118 0.69 KMT2A (0.55) KMT2AMEN1SMN1; SMN2RAB9AGAA

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-109503569-B Thiazole derivative and preparation method and application thereof 山东大学 2021-01-15 — — CN claimed
CN-109503569-B Thiazole derivative and preparation method and application thereof 山东大学 2021-01-15 — — CN disclosed
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