SCHEMBL5198326

SCHEMBL5198326

CC(N)=NCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.50
NOS1 P29475 4/20 0.50
NOS3 P29474 3/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5198321 1.00 NOS2 (0.50) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL8803708 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL8803704 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL8803706 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL6910781 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL29441579 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL739300 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL8305870 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL2123602 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL1405688 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846145-A1 MIXING APPARATUS Sumitomo Chemical Company, Limited (JP) 2007-10-24 EP disclosed
WO-2006095888-A2 PROCESS FOR PRODUCING A MIXTURE OF PARTICLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-14 WO disclosed
WO-2006085666-A1 MIXING APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-17 WO disclosed
EP-0888270-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-07 EP disclosed
WO-1997028112-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-07 WO disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed