SCHEMBL10861885

SCHEMBL10861885

CCOC(=O)C(=CNC1CC1)C(=O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ LMNA P02545 1/20 0.45
▸ GLO1 Q04760 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DHODH Q02127 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
SCHEMBL10863359 0.89 ALDH1A1 (0.47) MAPTLMNARAB9ACYP1A2CYP2C19
SCHEMBL10864256 0.81 MAPT (0.47) MAPTLMNAGLO1RAB9AALDH1A1
SCHEMBL9564468 0.79 MAPT (0.45) MAPTLMNAGLO1RAB9AALDH1A1
SCHEMBL10864550 0.79 MAPT (0.45) MAPTLMNAGLO1RAB9AALDH1A1
SCHEMBL9564466 0.79 MAPT (0.45) MAPTLMNAGLO1RAB9AALDH1A1
SCHEMBL10628854 0.78 ALDH1A1 (0.50) MAPTLMNACYP1A2CYP2C19ALDH1A1
SCHEMBL10628848 0.78 ALDH1A1 (0.50) MAPTLMNACYP1A2CYP2C19ALDH1A1
SCHEMBL7083137 0.77 MAPT (0.36) MAPTLMNAGLO1CYP1A2CYP2C19
SCHEMBL7083139 0.77 MAPT (0.36) MAPTLMNAGLO1CYP1A2CYP2C19
SCHEMBL1345391 0.77 CYP2D6 (0.38) MAPTLMNAGLO1CYP1A2CYP2C19

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-0168733-A2 Process for the preparation of quinolinone and naphthyridoncarboxylic acids BAYER AG (DE) 1986-01-22 — — EP disclosed
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