SCHEMBL7848917

SCHEMBL7848917

CN1CCN(c2ccc([N+](=O)[O-])c(Nc3cc(C(=O)Nc4cc(F)cc(N5CCOCC5)c4)ccc3Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 12/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR6 P50406 1/20 0.45
WDR5 P61964 2/20 0.44
SIRT6 Q8N6T7 1/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2980235 0.90 SIRT6 (0.51) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL7822905 0.90 MAPT (0.49) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL7853049 0.87 HDAC3 (0.49) ALDH1A1MAPTNPC1KMT2AMEN1
SCHEMBL2978967 0.83 MAPT (0.58) ALDH1A1MAPTLMNANPC1KMT2A
SCHEMBL7822850 0.83 MAPT (0.48) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL7825920 0.83 MAPT (0.41) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL2969766 0.82 HDAC3 (0.51) ALDH1A1MAPTNPC1KMT2AMEN1
SCHEMBL7825494 0.82 KMT2A (0.49) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL6401762 0.81 SIRT6 (0.54) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL2979467 0.81 MAPT (0.50) ALDH1A1MAPTPOLBLMNANPC1

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-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO disclosed