SCHEMBL14101758

SCHEMBL14101758

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
HTT P42858 1/20 0.50
HTR6 P50406 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 7/20 0.45
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
MOK Q9UQ07 1/20 0.40
ABCB1 P08183 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRAF P15056 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
SCHEMBL4722094 0.94 MAPT (0.58) MAPTHTTHTR6MEN1KMT2A
SCHEMBL4724296 0.87 MAPT (0.56) MAPTHTTHTR6MEN1KMT2A
SCHEMBL4724954 0.87 MAPT (0.56) MAPTHTTHTR6MEN1KMT2A
SCHEMBL14101927 0.85 MAPT (0.54) MAPTHTTHTR6MEN1KMT2A
SCHEMBL4723759 0.84 MAPT (0.59) MAPTHTTHTR6MEN1KMT2A
SCHEMBL4719260 0.84 MAPT (0.65) MAPTHTTHTR6MEN1KMT2A
SCHEMBL4719580 0.83 MAPT (0.59) MAPTHTTHTR6MEN1KMT2A
SCHEMBL4722491 0.82 MAPT (0.57) MAPTHTTHTR6MEN1KMT2A
SCHEMBL4765522 0.82 MAPT (0.57) MAPTHTTHTR6MEN1KMT2A
SCHEMBL4719102 0.82 MAPT (0.63) MAPTHTTHTR6MEN1KMT2A

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