SCHEMBL2424187

SCHEMBL2424187

O=c1c(Br)c(C23C4C5C6C2[Fe]56432789C3C2C7C8C39)oc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PGAM1 P18669 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ DDR2 Q16832 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 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
SCHEMBL2429164 0.79 CYP2C9 (0.46) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL2426601 0.78 NPC1 (0.47) MAOAKDM4EALDH1A1CYP3A4MAPT
SCHEMBL2425083 0.72 TNKS (0.45) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL13978680 0.66 MAOA (0.57) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL1534666 0.64 KMT2A (0.65) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL4696277 0.64 MAOA (0.90) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL41161 0.64 MAOA (1.00) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL29398266 0.64 MAOA (1.00) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL29358061 0.64 MAOA (1.00) MAOAKDM4EALDH1A1CYP3A4GLA
Xanthone SCHEMBL2354794 0.64 MAOA (1.00) MAOAKDM4EALDH1A1CYP3A4GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2368895-A1 Ferrocenyl flavonoids Centre National de la Recherche Scientifique (CNRS) (FR) 2011-09-28 — — EP disclosed
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