SCHEMBL8778583

SCHEMBL8778583

O=C1CC(Cl)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MGLL Q99685 1/20 0.47
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.45
HSD11B1 P28845 1/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL10721792 0.88 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL8778499 0.81 ALDH1A1 (0.61) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL8440899 0.81 KMT2A (0.58) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL8538882 0.80 SMN1; SMN2 (0.58) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL8778587 0.80 ALDH1A1 (0.70) KMT2AMGLLPOLBMEN1ALDH1A1
SCHEMBL8545715 0.79 SMN1; SMN2 (0.60) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL10722292 0.77 ALDH1A1 (0.49) ALDH1A1
SCHEMBL7345512 0.76 KDM4E (0.47) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8421386 0.74 CES1 (0.53) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL7343106 0.74 AVPR1A (0.44) KMT2AMGLLPOLBMEN1ALDH1A1

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
EP-0804530-A1 BLEACHING COMPOSITIONS AND ADDITIVES COMPRISING BLEACH ACTIVATORS HAVING ALPHA-MODIFIED LACTAM LEAVING-GROUPS THE PROCTER & GAMBLE COMPANY (US) 1997-11-05 EP disclosed
US-5635103-A Bleaching compositions and additives comprising bleach activators having alpha-modified lactam leaving-groups THE PROCTER & GAMBLE COMPANY (US) 1997-06-03 US disclosed
WO-1996022350-A1 BLEACHING COMPOSITIONS AND ADDITIVES COMPRISING BLEACH ACTIVATORS HAVING ALPHA-MODIFIED LACTAM LEAVING-GROUPS THE PROCTER & GAMBLE COMPANY (US) 1996-07-25 WO disclosed