SCHEMBL28525614

SCHEMBL28525614

O=C(CCCNC(=S)NC1CCCCC1)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ ATG4B Q9Y4P1 8/20 0.54
▸ RAB9A P51151 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ FPR3 P25089 1/20 0.43
▸ FPR2 P25090 1/20 0.43

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
SCHEMBL28524561 0.79 LMNA (0.62) LMNAATG4BRAB9AMEN1KMT2A
SCHEMBL1395039 0.75 LMNA (1.00) LMNAATG4BRAB9AMEN1KMT2A
SCHEMBL375490 0.73 LMNA (0.76) LMNAATG4BRAB9AMEN1KMT2A
SCHEMBL28523289 0.73 LMNA (0.65) LMNAATG4BRAB9AMEN1KMT2A
SCHEMBL8236728 0.72 LMNA (0.74) LMNAATG4BRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL28533675 0.72 LMNA (0.74) LMNAATG4BRAB9AMEN1KMT2A
SCHEMBL1392634 0.72 LMNA (0.92) LMNAATG4BRAB9AMEN1KMT2A
SCHEMBL28529715 0.71 ATG4B (0.64) LMNAATG4BRAB9AMEN1KMT2A
SCHEMBL4884971 0.71 LMNA (0.90) LMNAATG4BRAB9AMEN1KMT2A
SCHEMBL10253068 0.71 LMNA (0.77) LMNAATG4BRAB9AMEN1KMT2A

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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