SCHEMBL4811540

SCHEMBL4811540

O=C(NCCN1CCOCC1)c1ccc2[nH]nnc2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CD274 Q9NZQ7 5/20 0.57
ALDH1A1 P00352 2/20 0.57
HTR1A P08908 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
KCNH2 Q12809 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.56
PARP1 P09874 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C9 P11712 1/20 0.53

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
SCHEMBL10109309 0.88 PARP1 (0.51) POLBHTR1AKDM4EPARP1HPGD
SCHEMBL16240046 0.87 KMT2A (0.48) POLBCYP2C19CYP1A2CYP2D6HTR1A
SCHEMBL2350430 0.82 POLB (0.60) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL30265334 0.82 POLB (0.60) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL14430689 0.82 KMT2A (0.60) POLBALDH1A1KDM4EMAPK1
SCHEMBL2705734 0.82 ALDH1A1 (0.45) POLBALDH1A1KDM4EMAPK1HPGD
SCHEMBL10102917 0.81 ACKR3 (0.52) CYP2C19CD274HTR1A
SCHEMBL13411800 0.80 NAMPT (0.39) ALDH1A1KDM4EPARP1HPGD
SCHEMBL5419575 0.80 CYP1A2 (0.65) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL562457 0.79 POLB (0.65) POLBCYP2C19CYP1A2CYP2D6CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7404915-B2 Electromagnetic wave shielding material, method of manufacturing the same and electromagnetic wave shielding material for plasma display panel KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-29 US disclosed
US-20070176153-A1 ELECTROMAGNETIC WAVE SHIELDING FILM, METHOD OF MANUFACTURING THE SAME, ELECTROMAGNETIC WAVE SHIELDING FILM FOR PLASMA DISPLAY PANEL, AND OPTICAL FILM KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-08-02 US disclosed
US-20070138441-A1 Electromagnetic wave shielding material, method of manufacturing the same and electromagnetic wave shielding material for plasma display panel KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-06-21 US disclosed
US-20070015094-A1 ELECTROMAGNETIC WAVE SHIELDING MATERIAL, METHOD FOR MANUFACTURING THE SAME AND ELECTROMAGNETIC WAVE SHIELDING MATERIAL FOR PLASMA DISPLAY PANEL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-18 US disclosed