SCHEMBL28291043

SCHEMBL28291043

Nc1c(C=O)ccnc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ERN1 O75460 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL29952854 1.00 TRIM24 (0.53) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL22350973 0.78 CCR1 (0.48) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL27887406 0.78 TRIM24 (0.57) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL29953393 0.77 CCR1 (0.47) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL13257417 0.77 CCR1 (0.47) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL17984975 0.75 CCR1 (0.45) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL29957540 0.75 CCR1 (0.45) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL28868517 0.75 TRIM24 (0.53) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL14046981 0.75 TRIM24 (0.53) TRIM24TRIM33CCR1CCR5CCR8
SCHEMBL17512179 0.75 TRIM24 (0.53) TRIM24TRIM33CCR1CCR5CCR8

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-109715612-A SOMATOSTATIN MODULATORS AND USES THEREOF 克林提克斯医药股份有限公司 2019-05-03 CN disclosed