SCHEMBL28050607

SCHEMBL28050607

COc1ccc(-c2ccccc2CCCBr)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
NR1H3 Q13133 1/20 0.40
PRKCZ Q05513 1/20 0.40

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
SCHEMBL5306327 0.85 TAAR1 (0.46) L3MBTL1LMNAMAPK1MEN1KMT2A
SCHEMBL5246607 0.84 MEN1 (0.49) L3MBTL1LMNAMEN1KMT2AHTR7
SCHEMBL2096587 0.82 ABCB1 (0.44) L3MBTL1LMNAMAPK1MEN1KMT2A
SCHEMBL23638842 0.81 ABCB1 (0.61) KDM4ENR1H3ABCB1
SCHEMBL30451526 0.81 ABCB1 (0.61) KDM4ENR1H3ABCB1
SCHEMBL9289360 0.80 L3MBTL1 (0.50) L3MBTL1MAPK1MEN1KMT2AHTR7
SCHEMBL6048564 0.79 HTR7 (0.55) MEN1KMT2AHTR7
Hydrochloric Acid SCHEMBL6770600 0.78 HTR7 (0.53) MEN1KMT2AHTR7
SCHEMBL27637470 0.77 PTGER4 (0.61) LMNANPC1PRKCZ
SCHEMBL30452106 0.77 KDM4E (0.57) L3MBTL1MAPK1MEN1KMT2AKDM4E

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-105384691-A Preparation method and application of glutaminylcyclase (QC) inhibitor UNIV SHENZHEN 2016-03-09 CN disclosed
CN-105384692-A Glutaminyl cyclase inhibitor UNIV SHENZHEN 2016-03-09 CN disclosed