SCHEMBL727388

SCHEMBL727388

Nc1nc2ccc(CO)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.61
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3A P46098 1/20 0.56
BACE1 P56817 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
CBFB Q13951 5/20 0.52
TYMS P04818 2/20 0.49
FABP6 P51161 2/20 0.49
ABL1 P00519 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MASP2 O00187 1/20 0.48
MEN1 O00255 1/20 0.48
NUDT1 P36639 1/20 0.48
KMT2A Q03164 1/20 0.48
AOC3 Q16853 1/20 0.48
NT5E P21589 1/20 0.46
RAD52 P43351 1/20 0.45

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
SCHEMBL727387 0.86 TYMS (0.49) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL12686275 0.84 PLAU (0.58) PLAUHTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL23201245 0.82 PLAU (0.56) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL240221 0.82 TYMS (0.60) PLAUHTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL30882573 0.82 PLAU (0.56) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL16065973 0.80 CBFB (0.48) PLAUCBFBALDH1A1TDP1NT5E
SCHEMBL3597291 0.80 ABL1 (0.55) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL5924403 0.79 BACE1 (0.53) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL4226862 0.79 ALDH1A1 (0.56) CBFBALDH1A1TDP1MEN1KMT2A
SCHEMBL6325163 0.79 CBFB (0.52) PLAUCBFBALDH1A1TDP1NT5E

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
CN-102917775-B There is the PA membrane of the coating comprising polyalkylene oxide and imidazolium compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-25 CN disclosed
US-8646616-B2 Composite membrane with coating comprising polyalkylene oxide and imidazol compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-02-11 US disclosed
CN-102917775-A Polyamide membrane with coating comprising polyalkylene oxide and imidazol compounds DOW GLOBAL TECHNOLOGIES LLC 2013-02-06 CN disclosed
WO-2011149572-A1 POLYAMIDE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-01 WO disclosed
US-20110284454-A1 COMPOSITE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC 2011-11-24 US disclosed
US-4550118-A ANTIULCER, ANTISECRETORY AGENT, HISTAMINE ANTAGONIST IKEDA MOHANDO CO., LTD. (JP) 1985-10-29 US disclosed
EP-0111685-A1 Benzazoles as histamine H2 receptor antagonists Ikeda Mohando Co., Ltd. (JP) 1984-06-27 EP disclosed