SCHEMBL12684848

SCHEMBL12684848

CC1C=CC(CNc2cc(N3CCCC(C(=O)N(C)C)C3)ccc2[N+](=O)[O-])=CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.47
▸ CYP1A2 P05177 5/20 0.47
▸ CYP2C9 P11712 5/20 0.47
▸ CYP2C19 P33261 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SERPINE1 P05121 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HTR6 P50406 2/20 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
SCHEMBL12684789 0.83 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1842067 0.73 MAPT (0.72) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL12684748 0.72 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL12684788 0.71 MAPT (0.70) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2390380 0.71 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1846387 0.70 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL18104338 0.69 MAPT (0.74) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10744861 0.66 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL14320629 0.66 ALDH1A1 (0.52) MAPTALDH1A1MAPK1NPSR1KMT2A
SCHEMBL14637949 0.65 HPGD (0.62) MAPTCYP1A2CYP2C19ALDH1A1MAPK1

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
WO-2012119035-A1 ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORPORATION (US) 2012-09-07 — — WO disclosed
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