SCHEMBL19067553

SCHEMBL19067553

COC(=O)c1cc(Cl)c(C)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.54
PDK2 Q15119 3/20 0.44
PDK1 Q15118 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL10322343 0.84 NOTUM (0.50) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL15358151 0.83 NOTUM (0.49) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL15358059 0.83 NOTUM (0.49) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL10322791 0.83 NOTUM (0.49) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL3555140 0.82 CA1 (0.54) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL13125475 0.81 NPFFR2 (0.42) NOTUMPDK1LMNAGAAMAPT
SCHEMBL22400332 0.81 NOTUM (0.69) NOTUMPDK2CA12CA1CA2
SCHEMBL25677846 0.81 NOTUM (0.50) NOTUMPDK2CA12CA1CA2
SCHEMBL29528597 0.81 NOTUM (0.69) NOTUMPDK2CA12CA1CA2
SCHEMBL15357970 0.80 NOTUM (0.47) NOTUMPDK2PDK1PDK3PDK4

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-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed