SCHEMBL14970320

SCHEMBL14970320

N#C/C(=C\c1cccc(Br)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 6/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NQO2 P16083 2/20 0.45
ESR1 P03372 2/20 0.45

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
SCHEMBL13485335 0.93 MAPT (0.57) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL3492729 0.90 MAPT (0.55) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL3492732 0.90 MAPT (0.55) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL28238029 0.84 MAPT (0.49) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL347800 0.82 RAB9A (0.69) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL247445 0.82 RAB9A (0.69) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL247444 0.82 RAB9A (0.69) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL9559515 0.81 MAPT (0.64) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL28431132 0.81 MAPT (0.68) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL14964811 0.81 MAPT (0.64) MAPTALDH1A1RAB9ANPC1MAPK1

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-2013072390-A2 STILBENE COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA TRANSMITTED ILLNESSES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-05-23 WO disclosed