SCHEMBL20184616

SCHEMBL20184616

NCCCC(NC(N)=O)C(=O)Nc1ccc(COC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.53
▸ SSTR3 P32745 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PPIA P62937 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38

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
SCHEMBL16599524 0.93 HTR2A (0.52) PDFSSTR3ALDH1A1MAPK1L3MBTL1
SCHEMBL1674876 0.81 SSTR3 (0.64) PDFSSTR3TGM2
SCHEMBL19209358 0.79 HTR2A (0.55) PDFSSTR3ALDH1A1MAPK1L3MBTL1
SCHEMBL20303609 0.79 PDF (0.69) PDFSSTR3ALDH1A1MAPK1SMN1; SMN2
SCHEMBL20303610 0.79 PDF (0.69) PDFSSTR3ALDH1A1MAPK1SMN1; SMN2
SCHEMBL16599526 0.78 HTR2A (0.54) PDFSSTR3ALDH1A1MAPK1L3MBTL1
SCHEMBL15676465 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1HTR2AHTT
Hydrochloric Acid SCHEMBL31456028 0.78 PDF (0.68) PDFSSTR3ALDH1A1MAPK1SMN1; SMN2
SCHEMBL19209361 0.77 HTR2A (0.55) PDFSSTR3ALDH1A1MAPK1L3MBTL1
SCHEMBL18788631 0.77 SSTR3 (0.65) PDFSSTR3HTR2A

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
EP-2917195-B9 SPLICEOSTATIN ANALOGS PFIZER (US) 2018-05-30 — — EP disclosed
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