SCHEMBL28531250

SCHEMBL28531250

O=C(Nc1ncc([N+](=O)[O-])s1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ EPHX2 P34913 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL28908921 0.91 MEN1 (0.68) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28519087 0.90 MEN1 (0.67) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28531603 0.90 SMN1; SMN2 (0.67) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28525534 0.90 RAB9A (0.67) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28531349 0.87 RAB9A (0.66) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28524552 0.84 KMT2A (0.62) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL20522364 0.74 KMT2A (0.54) KMT2AMEN1SMN1; SMN2RAB9AMAPT
Hydrochloric Acid SCHEMBL28535988 0.72 MEN1 (0.57) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL28518118 0.72 KMT2A (0.55) KMT2AMEN1SMN1; SMN2RAB9AGAA
SCHEMBL881749 0.72 STAT3 (0.77) KMT2AMEN1SMN1; SMN2RAB9AATG4B

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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