SCHEMBL20004583

SCHEMBL20004583

CCCc1ccc(-c2ccc(C#Cc3cc(F)c(-c4ccc5cc(-c6ccc(C)cc6)ccc5c4)cc3C)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 2/20 0.37
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL19999591 0.93 RAB9A (0.42) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL20004586 0.89 GRM5 (0.37) AURKAABL1NTRK1LCKCSF1R
SCHEMBL19999454 0.82 FFAR1 (0.43) HSD17B10FFAR1
SCHEMBL20006883 0.81 FFAR1 (0.42) HSD17B10FFAR1
SCHEMBL20004878 0.81 HRH3 (0.38) HSD17B10FFAR1
SCHEMBL20005267 0.81 RARA (0.39) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL20004894 0.81 RARA (0.39) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL20005228 0.80 FFAR1 (0.43) FFAR1
SCHEMBL20005285 0.80 FFAR1 (0.40) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL19999457 0.79 HRH3 (0.38) HSD17B10FFAR1

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-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed