SCHEMBL28083441

SCHEMBL28083441

COC(=O)Cn1cc2c([N+](=O)[O-])cccc2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3656023 0.80 ALDH1A1 (0.48) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL14909620 0.80 ALDH1A1 (0.43) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL31439998 0.79 HDAC8 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4718492 0.76 ALDH1A1 (0.39) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL28083442 0.75 ALDH1A1 (0.41) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL5861345 0.74 ALDH1A1 (0.49) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL25295627 0.74 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31169362 0.74 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11540231 0.74 ALDH1A1 (0.44) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL4719658 0.73 ALDH1A1 (0.59) POLBKMT2AMEN1ALDH1A1MAPT

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