SCHEMBL4720510

SCHEMBL4720510

CCCOc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
HTR6 P50406 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL4722808 0.96 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722566 0.94 MAPT (0.51) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4724460 0.94 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4720779 0.88 MAPT (0.47) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722671 0.88 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722538 0.88 MAPT (0.48) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4721589 0.86 MAPT (0.47) MAPTLMNAMAPK1TDP1PKM
SCHEMBL14101936 0.86 GAK (0.42) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4724283 0.86 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4723174 0.85 MAPT (0.47) MAPTLMNAMAPK1TDP1PKM

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