SCHEMBL10180657

SCHEMBL10180657

CC(C)(N)C(=O)Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
PDK1 Q15118 2/20 0.57
PDK2 Q15119 2/20 0.57
PDK3 Q15120 2/20 0.57
PDK4 Q16654 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
P2RX1 P51575 1/20 0.54
EPHX2 P34913 1/20 0.52

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
SCHEMBL12061944 0.88 LMNA (0.73) LMNAPOLBPDK1PDK2PDK3
SCHEMBL6152938 0.85 LMNA (0.59) LMNAPOLBPDK1PDK2PDK3
SCHEMBL12480670 0.84 L3MBTL1 (0.61) LMNAPOLBPDK1PDK2PDK3
SCHEMBL13170081 0.83 L3MBTL1 (0.64) LMNAPOLBPDK1PDK2PDK3
SCHEMBL167677 0.83 ALDH1A1 (0.63) LMNAPOLBPDK1PDK2PDK3
SCHEMBL11672809 0.82 MITF (0.57) LMNAPOLBPDK1PDK2PDK3
SCHEMBL2094767 0.82 NPC1 (0.63) LMNAPOLBPDK1PDK2PDK3
SCHEMBL2095975 0.81 ALDH1A1 (0.60) LMNAPOLBPDK1PDK2PDK3
SCHEMBL2095973 0.81 ALDH1A1 (0.60) LMNAPOLBPDK1PDK2PDK3
SCHEMBL29991055 0.81 NPC1 (0.55) LMNAPOLBPDK1PDK2PDK3

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 EP disclosed