SCHEMBL4721471

SCHEMBL4721471

CC(C)Oc1cccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.63
HTT P42858 1/20 0.63
HTR6 P50406 1/20 0.63
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
NPSR1 Q6W5P4 8/20 0.54
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 7/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 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
SCHEMBL4721044 0.91 MAPT (0.66) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4723553 0.89 MAPT (0.63) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4720126 0.88 MAPT (0.66) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4722817 0.88 MAPT (0.61) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4723875 0.87 MAPT (0.61) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4766617 0.87 MAPT (0.69) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4721271 0.86 MAPT (0.64) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4724941 0.86 MAPT (0.65) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4722112 0.86 MAPT (0.67) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4724655 0.85 MAPT (0.65) MAPTHTTHTR6LMNAKMT2A

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed