SCHEMBL9124018

SCHEMBL9124018

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11220123 0.88 TDP1 (0.37) TDP1GAAHTTALDH1A1SMN1; SMN2
SCHEMBL9122183 0.88 SMN1; SMN2 (0.36) TDP1GAAHTTALDH1A1SMN1; SMN2
SCHEMBL9124844 0.88 MAPT (0.37) TDP1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL9124609 0.85 ALDH1A1 (0.39) TDP1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL9124923 0.75 CRHR1 (0.42) TDP1MAPTMAPK1NFKB1MEN1
SCHEMBL9125993 0.75 CRHR1 (0.36) TDP1MAPK1CRHR1ALDH3A1
SCHEMBL9693689 0.75 ALDH1A1 (0.44) TDP1ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL9123104 0.74 LMNA (0.45) TDP1ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL9124621 0.73 MAPT (0.44) TDP1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL9124554 0.73 MEN1 (0.38) TDP1HTTMAPTMAPK1MEN1

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