SCHEMBL27612878

SCHEMBL27612878

Nc1ccc(C(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
KDM4E B2RXH2 1/20 0.66
KMT2A Q03164 3/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
RECQL P46063 2/20 0.58
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51

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
SCHEMBL11491980 0.90 MAPT (0.62) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL1466483 0.88 CRHBP (0.65) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL8061795 0.85 LMNA (0.57) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL10322740 0.84 CES2 (0.60) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL6312189 0.84 MITF (0.64) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL11091089 0.83 CTSV (0.57) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL2972277 0.83 LMNA (0.57) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL1250743 0.82 MAPT (0.54) MAPTKDM4EKMT2ALMNAALDH1A1
SCHEMBL6813421 0.82 ALDH1A1 (0.69) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL29953088 0.82 MAPT (0.54) MAPTKDM4EKMT2ALMNAALDH1A1

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed