SCHEMBL6220484

SCHEMBL6220484

O=C(Cc1ccc(Br)cc1)c1ccc(Br)cc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.81
MAPT P10636 4/20 0.81
RAB9A P51151 3/20 0.81
NPC1 O15118 2/20 0.81
GAA P10253 1/20 0.81
ALOX12 P18054 1/20 0.81
ESR1 P03372 1/20 0.64
SHBG P04278 1/20 0.64
ESR2 Q92731 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.53
ATM Q13315 1/20 0.53
ALOX5 P09917 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL2331741 0.90 LMNA (1.00) LMNAMAPTRAB9ANPC1GAA
SCHEMBL29586883 0.90 LMNA (0.67) LMNAMAPTRAB9ANPC1GAA
SCHEMBL30204024 0.90 LMNA (1.00) LMNAMAPTRAB9ANPC1GAA
SCHEMBL17263407 0.82 GAA (0.66) LMNAMAPTRAB9ANPC1GAA
SCHEMBL25666683 0.81 MAPT (0.54) LMNAMAPTRAB9ANPC1GAA
SCHEMBL5266853 0.80 LMNA (0.63) LMNAMAPTRAB9ANPC1GAA
SCHEMBL24939658 0.79 MAPT (0.53) LMNAMAPTRAB9ANPC1GAA
SCHEMBL17740976 0.79 LMNA (0.54) LMNAMAPTRAB9ANPC1GAA
SCHEMBL28566027 0.78 LMNA (0.51) LMNAMAPTRAB9ANPC1GAA
SCHEMBL312243 0.78 ESR1 (1.00) LMNAMAPTRAB9ANPC1GAA

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed