SCHEMBL9836115

SCHEMBL9836115

O=c1c2cc(O)cc(Br)c2oc2cccc(F)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.51
ESR1 P03372 3/20 0.51
MAOA P21397 6/20 0.45
ATP1A1 P05023 2/20 0.45
ATP1B1 P05026 2/20 0.45
ATP1A3 P13637 2/20 0.45
ATP1B2 P14415 2/20 0.45
ATP1A2 P50993 2/20 0.45
ATP1B3 P54709 2/20 0.45
FXYD2 P54710 2/20 0.45
ATP1A4 Q13733 2/20 0.45
EGFR P00533 1/20 0.43
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KDM5A P29375 1/20 0.39
ACE P12821 1/20 0.39
NMUR2 Q9GZQ4 2/20 0.38
ACHE P22303 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
SCHEMBL9836670 0.80 MAOA (0.59) ESR2ESR1MAOAMGAMGAA
SCHEMBL10534569 0.77 LMNA (0.44) GAA
SCHEMBL9836863 0.74 MAOA (0.64) ESR2ESR1MAOAMGAMGAA
SCHEMBL5951377 0.72 ESR2 (0.50) ESR2ESR1MAOAMGAMGAA
SCHEMBL9837184 0.70 ESR1 (0.52) ESR2ESR1MAOAATP1A1ATP1B1
SCHEMBL9835772 0.70 ESR2 (0.54) ESR2ESR1MAOAEGFRGAA
SCHEMBL9836158 0.70 MEN1 (0.58) ESR2ESR1MAOAGAA
SCHEMBL9836775 0.70 MEN1 (0.42) ESR2ESR1MAOAEGFRGAA
SCHEMBL9282004 0.69 MAOA (0.63) MAOAMGAMGAASIMGAM2
SCHEMBL9837177 0.68 PTPN1 (0.48) ESR2ESR1MAOAEGFRMGAM

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-0175376-B1 XANTHONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1991-04-03 EP disclosed
US-4816479-A HYPOTENSIVE AGENTS, DIURETICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1989-03-28 US disclosed
US-4661607-A ANTIEDEMIC AGENTS, HYPOTENSIVE AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1987-04-28 US disclosed
EP-0175376-A2 Xanthone derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1986-03-26 EP disclosed