SCHEMBL3341308

SCHEMBL3341308

O=NN(CCCl)C(=O)N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.77
PDE4A P27815 1/20 0.77
ADRA1A P35348 1/20 0.77
ALDH1A1 P00352 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
MEN1 O00255 1/20 0.50
ABCB11 O95342 1/20 0.50
GSR P00390 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 3/20 0.43
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
MFN2 O95140 1/20 0.31

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
SCHEMBL3341311 1.00 ADRA2A (0.77) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
Lomustine SCHEMBL3995 0.87 ADRA2A (1.00) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
Lomustine SCHEMBL868328 0.87 ADRA2A (1.00) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
Semustine SCHEMBL4500 0.86 ALDH1A1 (1.00) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
Semustine SCHEMBL4959160 0.86 ALDH1A1 (1.00) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL21693655 0.86 ADRA2A (0.75) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL21693656 0.86 ADRA2A (0.75) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
Semustine SCHEMBL28854924 0.85 ALDH1A1 (0.97) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
Lomustine SCHEMBL28262197 0.84 ADRA2A (0.94) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
Lomustine SCHEMBL28159683 0.83 ADRA2A (0.91) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287541-A1 Kit for Treatment of Cancer REDOXIA ISRAEL LTD. (IL) 2008-11-20 US claimed
EP-1755679-A2 KIT FOR TREATMENT OF CANCER Redoxia Israel Limited (IL) 2007-02-28 EP claimed
WO-2005107370-A2 KIT FOR TREATMENT OF CANCER REDOXIA ISRAEL LTD (IL) 2005-11-17 WO claimed
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed
US-20080287541-A1 Kit for Treatment of Cancer REDOXIA ISRAEL LTD. (IL) 2008-11-20 US disclosed
EP-1755679-A2 KIT FOR TREATMENT OF CANCER Redoxia Israel Limited (IL) 2007-02-28 EP disclosed
WO-2005107370-A2 KIT FOR TREATMENT OF CANCER REDOXIA ISRAEL LTD (IL) 2005-11-17 WO disclosed