SCHEMBL16350331

SCHEMBL16350331

CCOC(=O)CC1(CC(=O)OCC)C(=O)N(C(C)C)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
LMNA P02545 5/20 0.42
KDM4E B2RXH2 2/20 0.42
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 1/20 0.40
PPARG P37231 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1F O60840 3/20 0.39
CACNA1D Q01668 3/20 0.39
CACNA1S Q13698 3/20 0.39
CACNA1C Q13936 3/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 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
SCHEMBL14609556 0.90 CDYL (0.33) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL14609555 0.88 ALDH1A1 (0.34) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13234058 0.84 ALDH1A1 (0.43) MAPTLMNAKDM4EGLO1ALDH1A1
SCHEMBL4512676 0.84 MAPT (0.41) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL16315764 0.80 POLB (0.46) MAPTLMNAKDM4EGLO1ALDH1A1
SCHEMBL13233963 0.76 HSPA9 (0.43) MAPTLMNAGLO1ALDH1A1SMN1; SMN2
SCHEMBL12659870 0.76 MAPT (0.46) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL12659939 0.74 PPARG (0.48) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL14609178 0.74 CDYL (0.33) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13234018 0.74 MAPT (0.42) MAPTLMNAALDH1A1GAAKMT2A

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
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed