Sugi Predict

Sugi Predict / Compounds / SCHEMBL302258

SCHEMBL302258

SCHEMBL302258

CCCNC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.O=C(NCC1CC1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.O=C(NCCCCO)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.O=C(NCCCO)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.O=C(NCCO)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.45
▸ SIGMAR1 Q99720 3/20 0.45
▸ CXCR3 P49682 5/20 0.45
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK14 Q16539 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3378120 0.86 CXCR3 (0.57) CXCR3MAPTLMNAALDH1A1
SCHEMBL3377290 0.86 LMNA (0.57) TMEM97SIGMAR1MAPTLMNAALDH1A1
SCHEMBL3379800 0.85 LMNA (0.58) TMEM97SIGMAR1MAPTLMNAALDH1A1
SCHEMBL3377521 0.84 LMNA (0.59) TMEM97SIGMAR1MAPTLMNAALDH1A1
SCHEMBL3380826 0.83 LMNA (0.60) TMEM97SIGMAR1MAPTLMNAALDH1A1
SCHEMBL3380454 0.77 ALDH1A1 (0.58) TMEM97SIGMAR1MAPTLMNAALDH1A1
SCHEMBL3376241 0.76 LMNA (0.61) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL302132 0.75 ALDH1A1 (0.65) TMEM97SIGMAR1MAPTLMNAALDH1A1
SCHEMBL3378933 0.75 MAPT (0.59) TMEM97SIGMAR1MAPTLMNAALDH1A1
SCHEMBL3377116 0.74 LMNA (0.62) MAPTLMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500836-A — — 2012-01-12 — — JP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 — — EP claimed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 — — WO claimed