SCHEMBL7147360

SCHEMBL7147360

O=C(CBr)c1cccc(NBr)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.53
PTPN1 P18031 5/20 0.53
AKR1C3 P42330 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL10810948 0.84 GSK3B (0.52) GSK3BPTPN1AKR1C3MEN1KMT2A
SCHEMBL28050059 0.82 GSK3B (0.55) GSK3BPTPN1AKR1C3MEN1KMT2A
Bromide SCHEMBL10751253 0.82 GSK3B (0.50) GSK3BPTPN1AKR1C3MEN1KMT2A
SCHEMBL9409741 0.82 GSK3B (0.70) GSK3BPTPN1MEN1KMT2AL3MBTL1
SCHEMBL5628492 0.81 HDAC3 (0.57) MEN1KMT2A
SCHEMBL7113447 0.81 GSK3B (0.53) GSK3BPTPN1AKR1C3MEN1KMT2A
SCHEMBL6189469 0.80 KCNK3 (0.69) GSK3BPTPN1MEN1KMT2AKCNK3
SCHEMBL1120803 0.78 ALDH1A1 (0.67) GSK3BPTPN1
SCHEMBL8924324 0.78 KMT2A (0.48) GSK3BPTPN1MEN1KMT2AKCNK3
SCHEMBL3798840 0.77 NPSR1 (0.69) GSK3BPTPN1MEN1KMT2AL3MBTL1

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
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP disclosed