SCHEMBL4721843

SCHEMBL4721843

COc1cc(C(=O)NCC(OC)OC)cc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.51
HTT P42858 2/20 0.51
HTR6 P50406 1/20 0.51
LMNA P02545 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 6/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 8/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4721947 0.89 MAPT (0.54) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4721223 0.88 MAPT (0.60) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4723189 0.86 MAPT (0.57) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4724941 0.86 MAPT (0.65) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4719885 0.84 MAPT (0.61) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4722844 0.84 MAPT (0.54) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4719483 0.82 MAPT (0.59) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4721044 0.81 MAPT (0.66) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4719291 0.81 MAPT (0.68) MAPTHTTHTR6LMNAKMT2A
SCHEMBL4723316 0.81 MAPT (0.57) 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