SCHEMBL4773232

SCHEMBL4773232

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
KCNN4 O15554 10/20 0.42
HTT P42858 1/20 0.37
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
PTPN1 P18031 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KIF11 P52732 1/20 0.34
CYP1A2 P05177 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL2451645 0.74 KCNN4 (0.45) KMT2AMAPTKCNN4HTTPTPN1
SCHEMBL27568720 0.72 KCNN4 (0.44) KMT2AMAPTKCNN4HTTPTPN1
Hydrochloric Acid SCHEMBL29145555 0.72 KCNN4 (0.44) KMT2AMAPTKCNN4HTTPTPN1
SCHEMBL29095960 0.72 KCNN4 (0.44) KMT2AMAPTKCNN4HTTPTPN1
SCHEMBL27702859 0.71 MAPT (0.59) KMT2AMAPTKCNN4HTTKCNE1
SCHEMBL8583194 0.71 KCNN4 (0.42) KMT2AMAPTKCNN4HTTPTPN1
SCHEMBL6016877 0.70 MAPT (0.63) KMT2AMAPTKCNN4HTTALDH1A1
SCHEMBL28049560 0.70 CHRM3 (0.46) KMT2AMAPTKCNN4ALDH1A1
SCHEMBL29019887 0.70 MAPT (0.52) KMT2AMAPTKCNN4HTTKCNE1
SCHEMBL5560839 0.69 MAPT (0.47) KMT2AMAPTKCNN4HTTKCNE1

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
EP-1924551-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-05-28 EP disclosed
WO-2007025709-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-03-08 WO disclosed