SCHEMBL855972

SCHEMBL855972

O=C1OCc2c(Br)cc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
ALOX5 P09917 7/20 0.39
KCNJ1 P48048 1/20 0.39
APP P05067 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL855164 0.81 MAOA (0.38) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855077 0.76 ALOX5 (0.39) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL698199 0.73 PIM1 (0.48) MAOAMAOBALOX5KCNJ1CA1
SCHEMBL286612 0.69 KCNJ1 (0.44) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL286354 0.68 KCNJ1 (0.46) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL29440632 0.68 MAOA (0.62) MAOAMAOBLMNAGAAMAPT
SCHEMBL854664 0.68 MAOA (0.62) MAOAMAOBLMNAGAAMAPT
SCHEMBL855079 0.68 KCNJ1 (0.46) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855514 0.67 CYP3A4 (0.53) MAOAMAOBKCNJ1LMNAGAA
SCHEMBL23496685 0.66 KCNJ1 (0.44) MAOAMAOBALOX5KCNJ1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849094-B The manufacture method of halogen-substituted phthalein 住友化学株式会社 2018-04-10 CN disclosed
CN-105849094-A Method for producing halogen-substituted phthalide 住友化学株式会社 2016-08-10 CN disclosed
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed