SCHEMBL28519087

SCHEMBL28519087

Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc([N+](=O)[O-])s3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ RAB9A P51151 4/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ GAA P10253 1/20 0.67
▸ ALDH1A1 P00352 6/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ NPC1 O15118 3/20 0.55
▸ PKM P14618 1/20 0.55
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 2/20 0.53
▸ EPHX2 P34913 1/20 0.53

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) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL28531603 0.90 SMN1; SMN2 (0.67) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL28531250 0.90 KMT2A (0.67) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL28525534 0.90 RAB9A (0.67) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL28531349 0.89 RAB9A (0.66) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL28524552 0.84 KMT2A (0.62) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL28518118 0.74 KMT2A (0.55) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL1477682 0.74 FBP1 (0.69) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL30597528 0.74 MAPT (0.73) MEN1KMT2ASMN1; SMN2GAAALDH1A1
Hydrochloric Acid SCHEMBL28535988 0.72 MEN1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2GAA

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
Send feedback