SCHEMBL28056370

SCHEMBL28056370

Brc1ccc(-c2ccc(-c3ccccc3)cc2-c2ccc(Br)cc2)cc1.O=C1C=CC=C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
APAF1 O14727 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
XBP1 P17861 1/20 0.46
PTBP1 P26599 1/20 0.46
HTT P42858 1/20 0.46
GALK1 P51570 1/20 0.46
BLM P54132 1/20 0.46
SMAD3 P84022 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL27578855 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL31512408 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL29450690 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL18050369 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL25629333 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL24123167 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL2713867 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL17539981 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL28056300 0.80 ATM (0.42) ALDH1A1NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL28056371 0.79 MAPK1 (0.45) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A

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
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 claimed
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