SCHEMBL8599057

SCHEMBL8599057

O=Cc1ccccc1Br.O=Cc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 3/20 0.45
TRIM24 O15164 2/20 0.44
TRIM33 Q9UPN9 2/20 0.44
HSD11B1 P28845 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.40
DYRK2 Q92630 2/20 0.38
GSR P00390 1/20 0.38
IKBKB O14920 1/20 0.38
CYP2A6 P11509 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
SCHEMBL95292 0.87
SCHEMBL29527038 0.87
SCHEMBL29815450 0.87
SCHEMBL1509673 0.87 TDP1 (0.63) TDP1MEN1KMT2ALMNATHRB
SCHEMBL97422 0.87
SCHEMBL29924187 0.84 TDP1 (0.60) TDP1MEN1KMT2ALMNATHRB
Fluoride SCHEMBL28846655 0.84 KMT2A (0.60) TDP1MEN1KMT2ALMNATHRB
Hydrochloric Acid SCHEMBL10816378 0.84 TDP1 (0.60) TDP1MEN1KMT2ALMNATHRB
SCHEMBL29684596 0.84 TDP1 (0.60) TDP1MEN1KMT2ALMNATHRB
Methane SCHEMBL10926734 0.84 TDP1 (0.60) TDP1MEN1KMT2ALMNATHRB

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
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed