SCHEMBL9820968

SCHEMBL9820968

Nc1ccc(Nc2ccc([N+](=O)[O-])cc2OC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
GFER P55789 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44

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
SCHEMBL9820590 0.84 MAPT (0.51) MAPTMEN1KMT2ATDP1GFER
SCHEMBL10532509 0.81 CTSV (0.67) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10721491 0.79 AKR1C3 (0.53) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10881308 0.77 HTT (0.62) MAPTMEN1KMT2ATDP1GFER
SCHEMBL9821210 0.77 MAPT (0.67) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL9821173 0.76 MAPT (0.58) MAPTMEN1KMT2ATDP1GFER
SCHEMBL10532614 0.75 LMNA (0.71) MAPTMEN1KMT2AGAAATM
SCHEMBL9820982 0.74 MAPT (0.66) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10718571 0.73 CTSV (0.61) MAPTMEN1KMT2AMAPK1GFER
SCHEMBL9622919 0.72 MAPT (0.46) MAPTMEN1KMT2AMAPK1GAA

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-0282749-B1 HAIR DYEING COMPOSITIONS CONTAINING DIRECT NITRODIPHENYLAMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1991-08-28 EP disclosed