SCHEMBL26467701

SCHEMBL26467701

Cc1cccc(NC(=O)C(F)(F)F)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.48
PDK2 Q15119 3/20 0.48
PDK3 Q15120 3/20 0.48
PDK4 Q16654 3/20 0.48
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
JAK2 O60674 1/20 0.44
KLK7 P49862 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ANO1 Q5XXA6 2/20 0.40
PARP14 Q460N5 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ANO2 Q9NQ90 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL19448892 0.86 CETP (0.49) PDK1PDK2PDK3PDK4MAPT
SCHEMBL31606389 0.81 HPGD (0.41) PDK1PDK2PDK3PDK4MAPT
SCHEMBL6029980 0.80 PDK1 (0.53) PDK1PDK2PDK3PDK4MAPT
SCHEMBL914296 0.80 PDK1 (0.70) PDK1PDK2PDK3PDK4MAPT
Hydrochloric Acid SCHEMBL28203570 0.78 PDK1 (0.68) PDK1PDK2PDK3PDK4MAPT
SCHEMBL23885453 0.78 PDK1 (0.50) PDK1PDK2PDK3PDK4MAPT
SCHEMBL30254224 0.78 PDK1 (0.50) PDK1PDK2PDK3PDK4MAPT
SCHEMBL10397824 0.78 HPGD (0.46) MAPTHTTRAB9ANPC1ALDH1A1
SCHEMBL23634089 0.76 HPGD (0.45) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27385960 0.76 LCK (0.43) RAB9ANPC1

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
WO-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed