SCHEMBL7052870

SCHEMBL7052870

O=C1c2cccc(Br)c2CCc2c(Br)cccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.58
PARP11 Q9NR21 1/20 0.58
PIM1 P11309 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CDK5 Q00535 1/20 0.52
ROCK1 Q13464 1/20 0.52
DYRK1A Q13627 1/20 0.52
LRRK2 Q5S007 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
TYR P14679 1/20 0.42
MEN1 O00255 1/20 0.42
CDC25B P30305 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL8076308 0.89 CES1 (0.59) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL163925 0.84 PARP10 (0.56) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL29429928 0.84 PARP10 (0.56) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL7054532 0.83 TDP1 (0.69) PARP10PARP11PIM1CSNK1A1CDK5
Methylamine SCHEMBL27811293 0.79 PARP10 (0.51) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL28322695 0.78 MAOA (0.61) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL29679367 0.78 MAOB (0.69) HSD11B1MAOAMAOBCYP1A2ALDH1A1
SCHEMBL28733942 0.78 MAOB (0.69) HSD11B1MAOAMAOBCYP1A2ALDH1A1
SCHEMBL28733943 0.78 MAOB (0.69) HSD11B1MAOAMAOBCYP1A2ALDH1A1
SCHEMBL11684027 0.77 SRD5A2 (0.56) PARP10PARP11KMT2ATDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020248943-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 WO disclosed
EP-1042268-B1 1,7-DIBROMODIBENZOSUBERONE AND PROCEDURES FOR ITS PREPARATION BELUPO LIJEKOVI I KOZMETIKA D (HR) 2003-05-07 EP disclosed
EP-1042268-A1 DIBENZOSUBERONE DERIVATIVES AND PROCEDURES FOR THEIR PREPARATION Belupo - Lijekovi I Kozmetika D.O.O. (HR) 2000-10-11 EP disclosed
WO-1999028284-A1 DIBENZOSUBERONE DERIVATIVES AND PROCEDURES FOR THEIR PREPARATION BELUPO - LIJEKOVI I KOZMETIKA D.O.O. (HR) 1999-06-10 WO disclosed