SCHEMBL28531603

SCHEMBL28531603

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ RAB9A P51151 3/20 0.67
▸ GAA P10253 1/20 0.67
▸ ALDH1A1 P00352 4/20 0.57
▸ HPGD P15428 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ NCOA2 Q15596 1/20 0.56
▸ NCOA1 Q15788 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ STAT3 P40763 1/20 0.55
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.51
▸ NPC1 O15118 1/20 0.51

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) SMN1; SMN2MEN1KMT2ARAB9AGAA
SCHEMBL28531250 0.90 KMT2A (0.67) SMN1; SMN2MEN1KMT2ARAB9AGAA
SCHEMBL28519087 0.90 MEN1 (0.67) SMN1; SMN2MEN1KMT2ARAB9AGAA
SCHEMBL28525534 0.90 RAB9A (0.67) SMN1; SMN2MEN1KMT2ARAB9AGAA
SCHEMBL28531349 0.87 RAB9A (0.66) SMN1; SMN2MEN1KMT2ARAB9AGAA
SCHEMBL28524552 0.84 KMT2A (0.62) SMN1; SMN2MEN1KMT2ARAB9AGAA
SCHEMBL28148326 0.75 STAT3 (0.56) SMN1; SMN2MEN1KMT2ARAB9AGAA
Hydrochloric Acid SCHEMBL28535988 0.72 MEN1 (0.57) SMN1; SMN2MEN1KMT2ARAB9AGAA
SCHEMBL28518118 0.72 KMT2A (0.55) SMN1; SMN2MEN1KMT2ARAB9AGAA
SCHEMBL2681128 0.72 STAT3 (1.00) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1

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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