SCHEMBL5236944

SCHEMBL5236944

Cc1sc(C)c2[nH]c(Nc3c(Cl)cccc3Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
ZAP70 P43403 1/20 0.46
TRPV1 Q8NER1 6/20 0.43
ADRA2A P08913 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
PTGES O14684 2/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
HRH2 P25021 1/20 0.37

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
Hydrochloric Acid SCHEMBL5635271 0.99 LCK (0.46) LCKEGFRSRCZAP70TRPV1
SCHEMBL5695227 0.74 ADRA2A (0.44) LCKEGFRSRCZAP70TRPV1
SCHEMBL5695226 0.74 LCK (0.57) LCKEGFRSRCZAP70ADRA2A
SCHEMBL4161711 0.72 LCK (0.47) LCKEGFRSRCZAP70TRPV1
Hydrochloric Acid SCHEMBL6501404 0.72 ADRA2A (0.43) LCKEGFRSRCZAP70TRPV1
SCHEMBL3955064 0.72 LCK (0.49) LCKEGFRSRCZAP70TRPV1
Hydrochloric Acid SCHEMBL4055527 0.71 LCK (0.48) LCKEGFRSRCZAP70TRPV1
SCHEMBL5240162 0.71 PIM1 (0.31) MEN1KMT2A
Hydrochloric Acid SCHEMBL5633886 0.70 PIM1 (0.31)
SCHEMBL5695252 0.68 ADRA2A (0.44) LCKEGFRSRCZAP70ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664058-B1 SUBSTITUTED THIENOIMIDAZOLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENTS COMPRISING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-14 EP disclosed
EP-1664058-B1 SUBSTITUTED THIENOIMIDAZOLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENTS COMPRISING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-14 EP disclosed
US-7179830-B2 Substituted thienoimidazoles useful for disease treatment and prevention SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-20 US disclosed
US-7179830-B2 Substituted thienoimidazoles useful for disease treatment and prevention SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-20 US disclosed
EP-1664058-A1 SUBSTITUTED THIENOIMIDAZOLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENTS COMPRISING THE SAME Sanofi-Aventis Deutschland GmbH (DE) 2006-06-07 EP disclosed
WO-2005026173-A1 SUBSTITUTED THIENOIMIDAZOLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENTS COMPRISING THE SAME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-03-24 WO disclosed