SCHEMBL28083442

SCHEMBL28083442

CCC(=O)On1cc2c([N+](=O)[O-])cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ACP1 P24666 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
FBP1 P09467 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GAA P10253 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
SCHEMBL28083441 0.75 POLB (0.41) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL3656023 0.74 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL4719658 0.73 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL27923128 0.72 GAA (0.42) ALDH1A1MEN1KMT2ATDP1FBP1
SCHEMBL4197934 0.69 NOS1 (0.58) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL14909620 0.69 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL5861345 0.69 ALDH1A1 (0.49) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL4718492 0.68 ALDH1A1 (0.39) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL16975276 0.66 F2 (0.41) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL11540231 0.66 ALDH1A1 (0.44) ALDH1A1POLBMEN1KMT2ATDP1

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-103384661-B Mineralocorticoid receptor antagonists 默沙东公司 2016-08-10 CN disclosed