SCHEMBL9836614

SCHEMBL9836614

O=c1c2ccccc2oc2cc(O)c(Br)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.61
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
PGAM1 P18669 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TTR P02766 2/20 0.53
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53

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
SCHEMBL15656958 0.86 AHR (0.52) MAOAKDM4EALDH1A1CYP3A4MAPT
SCHEMBL31512480 0.86 MAOA (0.69) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL1954261 0.86 MAOA (0.69) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL9836945 0.81 LMNA (0.65) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL9837713 0.81 MAOA (0.61) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL31192626 0.80 AHR (0.52) MAOAKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21666688 0.79 MAOA (0.78) MAOAKDM4EALDH1A1GLACYP3A4
Xanthone SCHEMBL28426251 0.78 MAOA (0.95) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL9836819 0.77 MAOA (0.61) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL9837311 0.77 MAOA (0.61) MAOAKDM4EALDH1A1GLACYP3A4

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