SCHEMBL4720109

SCHEMBL4720109

Cc1csc(-c2cc(Br)cc(-c3nn(-c4cc(N5CCOCC5)ccc4[N+](=O)[O-])c(=O)c4ccccc34)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTR6 P50406 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 6/20 0.54
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 6/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4722092 0.88 MAPT (0.66) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4718836 0.88 MAPT (0.64) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4722136 0.87 MAPT (0.58) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4722835 0.87 MAPT (0.56) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4721296 0.85 MAPT (0.60) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4719977 0.84 MAPT (0.57) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4722690 0.84 MAPT (0.61) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4719785 0.84 MAPT (0.56) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4722215 0.83 MAPT (0.66) MAPTLMNAMEN1KMT2AHTR6
SCHEMBL4722891 0.83 MAPT (0.69) MAPTLMNAMEN1KMT2AHTR6

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