SCHEMBL28518118

SCHEMBL28518118

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncc([N+](=O)[O-])s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PTPN2 P17706 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ PTPN6 P29350 1/20 0.53
▸ ATG4B Q9Y4P1 3/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ RIN1 Q13671 1/20 0.47
▸ STS P08842 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HPGD P15428 1/20 0.44

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
SCHEMBL17631691 0.77 PTPN2 (0.51) RAB9APTPN2PTPN1PTPN6NPC1
SCHEMBL17631872 0.77 PTPN2 (0.50) KMT2ARAB9AMEN1SMN1; SMN2PTPN2
SCHEMBL28898382 0.75 NPC1 (0.62) KMT2ARAB9AMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL28535988 0.75 MEN1 (0.57) KMT2ARAB9AMEN1GAASMN1; SMN2
SCHEMBL28519087 0.74 MEN1 (0.67) KMT2ARAB9AMEN1GAASMN1; SMN2
SCHEMBL28531349 0.74 RAB9A (0.66) KMT2ARAB9AMEN1GAASMN1; SMN2
SCHEMBL28497363 0.73 MKNK1 (0.67) PTPN2PTPN1PTPN6
SCHEMBL19296045 0.73 MKNK1 (0.67) PTPN2PTPN1PTPN6
SCHEMBL6247527 0.73 PTPN2 (0.49) KMT2ARAB9AMEN1SMN1; SMN2PTPN2
SCHEMBL28148326 0.73 STAT3 (0.56) KMT2ARAB9AMEN1GAASMN1; SMN2

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 1 patent. 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 disclosed
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