SCHEMBL11513558

SCHEMBL11513558

Brc1c[c]ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MAOB P27338 2/20 0.41
LIPE Q05469 1/20 0.41
MAPK14 Q16539 3/20 0.40
LTA4H P09960 1/20 0.40
ALPG P10696 1/20 0.39
PTK2B Q14289 1/20 0.39
PTPN1 P18031 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 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
SCHEMBL9232295 0.86 TDP1 (0.44) RAB9ASMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL183414 0.84 MAPT (0.48) RAB9ASMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL4833255 0.83 ABCB1 (0.45) RAB9ASMN1; SMN2HTR1ADRD2
SCHEMBL5475735 0.82 MAOB (0.51) L3MBTL1MAPTMAOBMAPK14
SCHEMBL1616224 0.81 MAPT (0.55) SMN1; SMN2TDP1L3MBTL1MAPTMAPK1
SCHEMBL6996715 0.79 APP (0.47) SMN1; SMN2TDP1L3MBTL1MAPTMAPK1
SCHEMBL1099955 0.79 MAPT (0.44) TDP1L3MBTL1MAPTMAPK1HTR1A
SCHEMBL5315646 0.79 APP (0.47) RAB9ASMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL1446254 0.79 HPGD (0.46) RAB9ASMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL339374 0.78 HTR1A (0.53) RAB9ASMN1; SMN2TDP1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102869256-A Catechol O-methyltransferase inhibitors and their use in the treatment of psychotic disorders MERCK SHARP & DOHME 2013-01-09 CN disclosed
CN-101103013-B 1-thio-D-glucitol derivatives TAISHO PHARMACEUTICAL CO LTD 2012-05-23 CN disclosed
CN-101309893-B Process for producing biphenyl SYNGENTA PARTICIPATIONS AG 2012-03-28 CN disclosed
CN-101309893-A Process for producing biphenyl SYNGENTA PARTICIPATIONS AG (CH) 2008-11-19 CN disclosed
CN-101103013-A 1-thio-D-glucitol derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2008-01-09 CN disclosed
CN-1984898-A Process for production of azulene derivatives and intermediates for the synthesis of the same ASTELLAS PHARMA INC (JP) 2007-06-20 CN disclosed
CN-1288143-C Azulene derivatives and salts thereof YAMANOUCHI PHARMA CO LTD (JP) 2006-12-06 CN disclosed
CN-1671682-A Azulene derivatives and salts thereof YAMANOUCHI PHARMA CO LTD (JP) 2005-09-21 CN disclosed
US-4147554-A 5,6-DIHYDRO-PYRROLO(2,1-A)ISOQUINOLINES MITSUBISHI PAPER MILLS, LTD. (JP) 1979-04-03 US disclosed