SCHEMBL4720092

SCHEMBL4720092

CCc1c(C)c(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
PKM P14618 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 1/20 0.47
HTR6 P50406 1/20 0.47
NPSR1 Q6W5P4 5/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 5/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 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
SCHEMBL4723393 0.86 MAPT (0.50) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4721044 0.85 MAPT (0.66) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4722671 0.85 MAPT (0.50) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4722081 0.85 MAPT (0.49) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4719535 0.84 MAPT (0.53) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4723340 0.84 MAPT (0.53) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4724907 0.82 MAPT (0.47) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4724460 0.81 MAPT (0.50) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4722538 0.81 MAPT (0.48) MAPTLMNAMAPK1PKMTDP1
SCHEMBL4724283 0.81 MAPT (0.50) MAPTLMNAMAPK1PKMTDP1

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