SCHEMBL21596933

SCHEMBL21596933

Nc1onc2cccc(C(F)(F)F)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
HRH4 Q9H3N8 3/20 0.38
BACE1 P56817 2/20 0.38
EPHX2 P34913 4/20 0.36
MPL P40238 2/20 0.33
KIT P10721 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
RBP4 P02753 1/20 0.32
C1R P00736 1/20 0.32
MLYCD O95822 1/20 0.32
AXL P30530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4367263 0.76 ACHE (0.39)
SCHEMBL21596942 0.72 BACE1 (0.40) BRD4BACE1AXL
SCHEMBL21596915 0.72 PARP1 (0.41)
SCHEMBL21609072 0.71 KDR (0.50) HRH4EPHX2KITKDRFLT3
SCHEMBL11285561 0.68 EPHX2 (0.52) BACE1EPHX2MPLKITKDR
SCHEMBL11159666 0.68 NCF1 (0.44) BACE1MPLAXLALDH1A1TDP1
SCHEMBL22805659 0.68 DHFR (0.55)
SCHEMBL21596932 0.68 DCPS (0.51) ALDH1A1TDP1
SCHEMBL18312242 0.68 PI4KA (0.44) BACE1MPLALDH1A1
SCHEMBL30237719 0.68 BACE1 (0.45) HRH4BACE1EPHX2MPLC1R

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-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed