SCHEMBL4724601

SCHEMBL4724601

C=Cc1cc(C#N)cc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.58
HTT P42858 1/20 0.58
HTR6 P50406 1/20 0.58
LMNA P02545 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 7/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 7/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL4719260 0.92 MAPT (0.65) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4719143 0.92 MAPT (0.63) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4723889 0.89 MAPT (0.66) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4722417 0.89 MAPT (0.61) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4723601 0.88 MAPT (0.61) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4719407 0.88 MAPT (0.61) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4722683 0.88 MAPT (0.61) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4722956 0.88 MAPT (0.63) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4724424 0.87 MAPT (0.66) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4723571 0.87 MAPT (0.63) 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