SCHEMBL6355540

SCHEMBL6355540

CC(=O)c1cccc([N+](C)(C)C)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
PDK2 Q15119 2/20 0.38
PDK1 Q15118 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
RXFP1 Q9HBX9 2/20 0.34
KMT2A Q03164 1/20 0.33
P2RX1 P51575 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.32
CTSS P25774 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
CTSK P43235 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL2001643 0.77 LMNA (0.46) PDK2RXFP1CTSSLMNAGAA
SCHEMBL696461 0.77 P2RX1 (0.44) PDK2PDK1PDK3PDK4RXFP1
SCHEMBL24445835 0.77 THRB (0.47) PDK2PDK1PDK3PDK4RXFP1
SCHEMBL7784256 0.75 P2RX1 (0.43) PDK2PDK1PDK3PDK4RXFP1
SCHEMBL27500099 0.74 LMNA (0.43) ACHEKMT2AMAPTL3MBTL1LMNA
SCHEMBL7787354 0.72 SMN1; SMN2 (0.47) RXFP1KMT2AMAPTHTTL3MBTL1
SCHEMBL29945766 0.71 CYP1A2 (0.43) PDK2PDK1PDK3PDK4P2RX7
SCHEMBL23525879 0.71 CYP1A2 (0.43) PDK2PDK1PDK3PDK4P2RX7
SCHEMBL9524633 0.68 CTSS (0.56) P2RX7CTSSLMNAGAATAS2R14
SCHEMBL30562236 0.68 CTSS (0.56) P2RX7CTSSLMNAGAATAS2R14

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
US-8642273-B2 Ligand sensing fluorescent acetylcholinesterase for detection of organophosphate activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20050089926-A1 Ligand sensing fluorescent acetylcholinesterase for detection of organophosphate activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-04-28 US disclosed
WO-2003089599-A2 LIGAND SENSING FLUORESCENT ACETYLCHOLINESTERASE FOR DETECTION OF ORGANOPHOSPHATE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-10-30 WO disclosed