SCHEMBL31252099

SCHEMBL31252099

O=C(NCCCn1cnc(C(F)(F)F)c1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ KEAP1 Q14145 3/20 0.46
▸ NFE2L2 Q16236 3/20 0.46
▸ QPCT Q16769 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ KAT2B Q92831 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL31252144 0.85 HTT (0.54) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL31252012 0.84 HTT (0.55) HTTLMNASMN1; SMN2TGM2KEAP1
Bromide SCHEMBL31252188 0.80 HTT (0.34) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL17653833 0.78 ALDH1A1 (0.44) HTTSMN1; SMN2L3MBTL1MAPTGAA
SCHEMBL31252074 0.76 HTT (0.51) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL31252187 0.76 HTT (0.51) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15132766 0.76 SMN1; SMN2 (0.67) HTTSMN1; SMN2QPCTL3MBTL1
SCHEMBL1568420 0.76 L3MBTL1 (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.74 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9874334 0.72 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1

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
EP-4720162-A1 MAIN CHAIN CATIONIC OLIGO(IMIDAZOLIUM) FORMS N-HETEROCYCLIC CARBENE FOR EFFECTIVE BACTERIAL KILLING IN COMPLEX ENVIRONMENT Nanyang Technological University (SG) 2026-04-08 — — EP disclosed
WO-2024248739-A1 MAIN CHAIN CATIONIC OLIGO(IMIDAZOLIUM) FORMS N-HETEROCYCLIC CARBENE FOR EFFECTIVE BACTERIAL KILLING IN COMPLEX ENVIRONMENT NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-12-05 — — WO disclosed
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