SCHEMBL28025035

SCHEMBL28025035

CCCCCCCCCCCCCCCCCCN1C=CN(C)C1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
GUSB P08236 2/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TBXAS1 P24557 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
HTT P42858 4/20 0.32
GALR3 O60755 2/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL28024602 1.00 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL27674251 1.00 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL28253612 1.00 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL27753465 1.00 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL27733076 1.00 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL27654164 1.00 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL28486161 0.98 PTGS1 (0.31) PTGS1PTGS2MGLLFAAH
SCHEMBL3924524 0.92
SCHEMBL28157549 0.85
SCHEMBL27860079 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104888691-A Preparation method of antibacterial attapulgite zearalenone adsorbent XUYI R & D CT FOR APPLIC OF ATTAPULGITE CLAY LANZHOU INST OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCI 2015-09-09 CN claimed
CN-104888691-A Preparation method of antibacterial attapulgite zearalenone adsorbent XUYI R & D CT FOR APPLIC OF ATTAPULGITE CLAY LANZHOU INST OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCI 2015-09-09 CN disclosed