SCHEMBL855164

SCHEMBL855164

O=C1OCc2c(Br)cc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
ALOX5 P09917 6/20 0.37
KCNJ1 P48048 1/20 0.37
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPIA P62937 1/20 0.32

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
SCHEMBL855972 0.81 MAOA (0.40) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855545 0.81 TGM2 (0.40) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855294 0.78 MAOA (0.38) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL2044970 0.78 LMNA (0.41) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL14727441 0.77 MAOA (0.38) MAOAMAOBALOX5KCNJ1CYP3A4
SCHEMBL855077 0.73 ALOX5 (0.39) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL2049186 0.73 PGR (0.41) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL698199 0.71 PIM1 (0.48) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL286612 0.70 KCNJ1 (0.44) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL286864 0.70 KCNJ1 (0.44) MAOAMAOBALOX5KCNJ1ABCC9

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
WO-2025122491-A1 FUSED BICYCLIC ARYL COMPOUNDS FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC (US) 2025-06-12 WO 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