SCHEMBL9124609

SCHEMBL9124609

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL9123708 0.88 ALDH1A1 (0.37) ALDH1A1MAPT
SCHEMBL9124238 0.86 MAPT (0.36) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL9124018 0.85 TDP1 (0.38) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL9125254 0.85 ALDH1A1 (0.51) ALDH1A1MAPTTDP1GAARAB9A
SCHEMBL9123369 0.81 ALDH1A1 (0.36) ALDH1A1MAPTTDP1GAARAB9A
SCHEMBL9121830 0.80 ALDH1A1 (0.45) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL11220123 0.78 TDP1 (0.37) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL9122183 0.78 SMN1; SMN2 (0.36) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL9124844 0.78 MAPT (0.37) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL10749387 0.76 CA1 (0.43) ALDH1A1MAPTSMN1; SMN2HPGDMEN1

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