Ethyl Chloride

Ethyl Chloride

SCHEMBL5152686

CCCl.O=C1Cc2ccc(Cl)cc2N1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.83
CMA1 P23946 2/20 0.83
EIF2AK2 P19525 1/20 0.51
PGR P06401 1/20 0.48
TDP2 O95551 3/20 0.46
PDK2 Q15119 1/20 0.46
CRBN Q96SW2 3/20 0.45
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
GSK3B P49841 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HTR5A P47898 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
SCHEMBL221280 0.91 AHR (1.00) AHRCMA1EIF2AK2PGRTDP2
SCHEMBL29908519 0.91 AHR (1.00) AHRCMA1EIF2AK2PGRTDP2
Hydrochloric Acid SCHEMBL29594534 0.90 AHR (0.96) AHRCMA1EIF2AK2PGRTDP2
SCHEMBL8584695 0.85 AHR (0.86) AHRCMA1EIF2AK2PGRTDP2
Tert-Butyl Formate SCHEMBL27929883 0.79 AHR (0.69) AHRCMA1EIF2AK2PGRTDP2
SCHEMBL154614 0.77 AHR (1.00) AHRCMA1EIF2AK2PGRTDP2
SCHEMBL24570314 0.76 AHR (0.61) AHRCMA1EIF2AK2PGRTDP2
SCHEMBL4509576 0.76 AHR (0.56) AHRCMA1EIF2AK2PDK2CRBN
SCHEMBL29746444 0.76 AHR (0.61) AHRCMA1EIF2AK2PGRTDP2
SCHEMBL11699581 0.75 AHR (0.56) AHRCMA1EIF2AK2PGRPDK2

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-1687300-A4 PROCESS FOR THE PREPARING ZIPRASIDONE MONOHYDROCHLORIDE HYDRATE WOCKHARDT LTD (IN) 2007-08-01 EP disclosed
EP-1687300-A1 PROCESS FOR THE PREPARING ZIPRASIDONE MONOHYDROCHLORIDE HYDRATE Wockhardt Limited (IN) 2006-08-09 EP disclosed
WO-2005054235-A1 PROCESS FOR THE PREPARING ZIPRASIDONE MONOHYDROCHLORIDE HYDRATE WOCKHARDT LIMITED (IN) 2005-06-16 WO disclosed