SCHEMBL7872779

SCHEMBL7872779

COC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.81
MEN1 O00255 7/20 0.81
MAPT P10636 6/20 0.68
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
HTT P42858 1/20 0.68
POLB P06746 4/20 0.68
MITF O75030 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.64
ATM Q13315 2/20 0.63
MAPK1 P28482 1/20 0.62
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.60
PTPN1 P18031 1/20 0.60

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
SCHEMBL8274340 1.00 KMT2A (0.81) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8572381 0.89 KMT2A (0.83) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL23898948 0.89 KMT2A (0.83) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9134339 0.89 KMT2A (0.83) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL306161 0.87 POLB (0.81) KMT2AMEN1HTTPOLBMAPK1
SCHEMBL2061754 0.87 ALOX5 (0.77) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL2633343 0.87 ALOX5 (0.77) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9644607 0.86 LMNA (0.73) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9799705 0.86 MEN1 (0.74) KMT2AMEN1MAPTRAB9ANPC1
Iodide SCHEMBL22235392 0.85 POLB (0.78) KMT2AMEN1HTTPOLBMAPK1

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
US-6187285-B1 IN PARTICULAR MAGNETIC RESONANCE IMAGING (MRI) FOR MAGNETIC CATIONS. GUERBET (FR) 2001-02-13 US disclosed