SCHEMBL8216243

SCHEMBL8216243

NC(=O)N(OC(=O)C(F)(F)F)c1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.38
SCN9A Q15858 9/20 0.36
SCN4A P35499 1/20 0.36
XDH P47989 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ICMT O60725 1/20 0.33
BTK Q06187 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
Trifluoroacetic Acid SCHEMBL4460353 0.84 MCL1 (0.47) MCL1SCN4AXDHHDAC1HDAC2
SCHEMBL3270283 0.79 NPY5R (0.38) MCL1HDAC1HDAC2PPARDPPARA
Trifluoroacetic Acid SCHEMBL4458367 0.79 MCL1 (0.48) MCL1SCN4AXDHHDAC1HDAC2
Trifluoroacetic Acid SCHEMBL8216241 0.79 HDAC3 (0.40) MCL1SCN9ASCN4AHDAC1HDAC2
SCHEMBL4686964 0.78 MCL1 (0.46) MCL1XDH
SCHEMBL3269768 0.77 MAPT (0.38) HDAC1HDAC2
SCHEMBL4684167 0.76 MCL1 (0.50) MCL1BTK
SCHEMBL3275341 0.76 MCL1 (0.43) MCL1SCN9ASCN4AXDH
SCHEMBL8218222 0.76 MCL1 (0.40) MCL1SCN9ASCN4AXDHICMT
SCHEMBL4460360 0.76 LTA4H (0.47) MCL1SCN4AXDHBTK

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-8188133-B2 Imidazole derivatives, preparation and user thereof as medicine IPSEN PHARMA S.A.S. (FR) 2012-05-29 US disclosed