SCHEMBL27504374

SCHEMBL27504374

COC(=O)n1nc([N+](=O)[O-])c(Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
F2 P00734 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27504375 0.71 ALDH1A1 (0.47) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL4561816 0.68 ALDH1A1 (0.46) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL2760501 0.68 ALDH1A1 (0.69) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL1520665 0.67 L3MBTL1 (0.64) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL6305517 0.65 ALDH1A1 (0.40) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL13187360 0.61 KMT2A (0.60) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL28848233 0.61 ALDH1A1 (0.43) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL29091846 0.60 L3MBTL1 (0.50) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL8280386 0.60 MAPT (0.46) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL20568978 0.59 F2 (0.39) ALDH1A1KMT2AMEN1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1244576-C Compound (I) ASTRAZENECA AB (SE) 2006-03-08 CN disclosed
CN-1660839-A Chemical compounds ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
CN-1433411-A Compound (I) ASTRAZENECA AB (SE) 2003-07-30 CN disclosed