SCHEMBL18509261

SCHEMBL18509261

FC(F)(F)c1ccc(-c2nccn2Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.55
HSD17B10 Q99714 1/20 0.51
BRD4 O60885 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CXCR2 P25025 1/20 0.46
ALOX15B O15296 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.43
CFTR P13569 1/20 0.43
KIF11 P52732 1/20 0.43
PDE6D O43924 1/20 0.43
HTR6 P50406 1/20 0.43
NR3C1 P04150 1/20 0.42
POLB P06746 1/20 0.42
P2RX7 Q99572 1/20 0.41
KCNH2 Q12809 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
SCHEMBL15497755 0.87 SMN1; SMN2 (0.43) LIMK2BRD4NR3C1P2RX7KCNH2
SCHEMBL5981532 0.85 LIMK2 (0.63) LIMK2HSD17B10BRD4MEN1KMT2A
SCHEMBL17621 0.85 HSD17B10 (0.62) LIMK2HSD17B10BRD4MEN1KMT2A
SCHEMBL2840217 0.83 LIMK2 (0.58) LIMK2HSD17B10BRD4MEN1KMT2A
Bromide SCHEMBL811908 0.83 HSD17B10 (0.60) LIMK2HSD17B10BRD4MEN1KMT2A
Fluoride SCHEMBL10339918 0.83 HSD17B10 (0.60) LIMK2HSD17B10BRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL233781 0.83 HSD17B10 (0.60) LIMK2HSD17B10BRD4MEN1KMT2A
Iodide SCHEMBL28519464 0.83 HSD17B10 (0.60) LIMK2HSD17B10BRD4MEN1KMT2A
SCHEMBL9164995 0.83 KIF11 (0.51) LIMK2BRD4KIF11
SCHEMBL10906967 0.82 LIMK2 (0.56) LIMK2HSD17B10BRD4MEN1KMT2A

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-2016057658-A9 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2017-02-16 WO disclosed