SCHEMBL28056300

SCHEMBL28056300

N#Cc1ccc(-c2ccc(-c3ccccc3)cc2-c2ccc(C#N)cc2)cc1.O=C1C=CC=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
XBP1 P17861 1/20 0.42
PTBP1 P26599 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
SMAD3 P84022 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 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
SCHEMBL28056296 0.88 KAT6A (0.46) ATMHTTGABRA1GABRG2GABRB3
SCHEMBL10929186 0.87 GABRA1 (0.50) ATMMEN1APAF1NPC1LMNA
SCHEMBL13682554 0.87 GABRA1 (0.50) ATMMEN1APAF1NPC1LMNA
SCHEMBL28056373 0.81 ALDH1A1 (0.43) ATMMEN1KMT2AGABRA1GABRG2
SCHEMBL28056370 0.80 ALDH1A1 (0.48) ATMMEN1APAF1NPC1LMNA
SCHEMBL31741945 0.79 PTGDR2 (0.50) ATMMEN1KMT2AL3MBTL1GABRA1
SCHEMBL31741946 0.79 PTGDR2 (0.50) ATMMEN1KMT2AL3MBTL1GABRA1
SCHEMBL996126 0.79 PTGDR2 (0.50) ATMMEN1KMT2AL3MBTL1GABRA1
SCHEMBL31643600 0.79 ABCG2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31463137 0.79 ABCG2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3

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
CN-105504186-A Preparing method and application of 3,4-bi(4-cyanophenyl)-2,5-diphenyl phenyl grafted polysiloxane UNIV SHANDONG 2016-04-20 CN disclosed