SCHEMBL14101182

SCHEMBL14101182

NC(=O)C(O)(c1ccccc1)C(F)(F)Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNN4 O15554 9/20 0.46
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CES1 P23141 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL2398996 0.84 MAPT (0.50) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL14101147 0.84 MAPT (0.50) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL9211554 0.75 MAPT (0.54) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL3936932 0.74 MAPT (0.58) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL11842568 0.74 CYP1A2 (0.70) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL4245525 0.73 MAPT (0.56) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL4556174 0.73 MAPT (0.56) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL2465581 0.73 MAPT (0.56) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL17968493 0.73 MAPT (0.56) MAPTKMT2AKCNN4CYP1A2HTT
SCHEMBL2705804 0.72 MAPT (0.46) MAPTKMT2AKCNN4CYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414078-B2 Oral general anesthetics and metabolitically resistant anticonvulsants UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-08-19 US disclosed