SCHEMBL28525534

SCHEMBL28525534

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ NPC1 O15118 3/20 0.53
▸ EPHX2 P34913 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ ATG4B Q9Y4P1 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ATM Q13315 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) RAB9AKMT2ASMN1; SMN2MEN1GAA
SCHEMBL28531603 0.90 SMN1; SMN2 (0.67) RAB9AKMT2ASMN1; SMN2MEN1GAA
SCHEMBL28531250 0.90 KMT2A (0.67) RAB9AKMT2ASMN1; SMN2MEN1GAA
SCHEMBL28519087 0.90 MEN1 (0.67) RAB9AKMT2ASMN1; SMN2MEN1GAA
SCHEMBL28524552 0.90 KMT2A (0.62) RAB9AKMT2ASMN1; SMN2MEN1GAA
SCHEMBL28531349 0.87 RAB9A (0.66) RAB9AKMT2ASMN1; SMN2MEN1GAA
Hydrochloric Acid SCHEMBL28535988 0.72 MEN1 (0.57) RAB9AKMT2ASMN1; SMN2MEN1GAA
SCHEMBL28518118 0.72 KMT2A (0.55) RAB9AKMT2ASMN1; SMN2MEN1GAA
SCHEMBL6955039 0.70 ALDH1A1 (0.68) KMT2ASMN1; SMN2GAAEPHX2POLB
SCHEMBL28148326 0.69 STAT3 (0.56) RAB9AKMT2ASMN1; SMN2MEN1GAA

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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