SCHEMBL7368015

SCHEMBL7368015

CC(C)(C)OC(=O)c1cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3NC(=O)OCC3CCN(c4ccncc4)CC3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
F10 P00742 4/20 0.37
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
ROCK2 O75116 1/20 0.33
RAB9A P51151 1/20 0.33
BDKRB1 P46663 1/20 0.33

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
SCHEMBL7372042 0.90 F10 (0.38) MAPTF10ROCK2BDKRB1
SCHEMBL7374706 0.89 F10 (0.46) MAPTF10TDP1ALDH1A1
SCHEMBL7369776 0.88 F10 (0.36) F10ROCK2BDKRB1
SCHEMBL6169098 0.85 F10 (0.39) MAPTF10TDP1POLBALDH1A1
SCHEMBL7373208 0.83 MAPT (0.38) MAPTF10TDP1POLBALDH1A1
SCHEMBL7372221 0.78 F10 (0.39) F10ALDH1A1
SCHEMBL6168826 0.77 RXFP2 (0.46) F10
SCHEMBL7369526 0.76 F10 (0.41) F10
SCHEMBL5226957 0.75 F10 (0.46) MAPTF10ALDH1A1RAB9A
SCHEMBL5309789 0.75 F10 (0.46) MAPTF10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed