SCHEMBL6955842

SCHEMBL6955842

Clc1ccc2occc2c1CBr

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.34
MAOB P27338 8/20 0.34
FTO Q9C0B1 1/20 0.34
NFKB1 P19838 1/20 0.33
ACHE P22303 1/20 0.33
KCNA3 P22001 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
PAX8 Q06710 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 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
SCHEMBL6948059 0.77 EED (0.36) MAOAMAOBFTONFKB1HTR2A
SCHEMBL17221347 0.77 HTR2C (0.34) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL6946969 0.75 TAAR1 (0.36) MAOAMAOBFTONFKB1HTR2A
SCHEMBL8799124 0.73 MAOA (0.40) MAOAMAOBFTONFKB1ACHE
SCHEMBL6949814 0.69 MAOA (0.38) MAOAMAOBFTONFKB1ACHE
SCHEMBL6478330 0.69 DYRK1A (0.38) MAOAMAOBFTONFKB1ACHE
SCHEMBL6921642 0.69 MAOA (0.38) MAOAMAOBFTONFKB1ACHE
SCHEMBL4429415 0.68 PAX8 (0.48) MAOAMAOBFTONFKB1ACHE
SCHEMBL4165638 0.65 AHR (0.40)
SCHEMBL6947487 0.65 ALDH1A1 (0.43) MAOAMAOBFTONFKB1ACHE

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-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed