SCHEMBL9123786

SCHEMBL9123786

CCN(CC)c1nc(OC)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
PPIA P62937 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9125254 0.84 ALDH1A1 (0.51) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL9124057 0.82 ALDH1A1 (0.38) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL9124111 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL9124844 0.80 MAPT (0.37) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL9120870 0.78 ALDH1A1 (0.37) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL9125001 0.77 MAPT (0.37) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL3752019 0.74 MAPT (0.40) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL502077 0.74 MAPT (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11497906 0.73 TDP1 (0.47) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL3666271 0.72 MAPT (0.38) ALDH1A1MAPTMEN1POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5397781-A Pyrimidine derivatives MOCHIDA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-03-14 US disclosed
EP-0561175-A1 Pyrimidine derivatives and pharmaceutical compostions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-09-22 EP disclosed