SCHEMBL2425524

SCHEMBL2425524

COc1ccc2c(=O)cc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.53
▸ KDM4E B2RXH2 9/20 0.51
▸ ALDH1A1 P00352 8/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ TNKS O95271 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ HPGD P15428 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL2427801 0.90 ALDH1A1 (0.52) MAOBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2424066 0.86 KDM4E (0.46) MAOBKDM4EALDH1A1HPGDMAPT
SCHEMBL2427113 0.85 KDM4E (0.50) MAOBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2430119 0.82 ALDH1A1 (0.49) MAOBKDM4EALDH1A1TNKSHPGD
SCHEMBL2429282 0.80 ALDH1A1 (0.41) MAOBKDM4EALDH1A1CYP19A1HPGD
SCHEMBL2427139 0.80 HPGD (0.49) MAOBKDM4EALDH1A1TNKSCYP19A1
SCHEMBL2423285 0.80 MAOB (0.47) MAOBTNKSCYP11B1
SCHEMBL2427637 0.80 ABCB1 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2424752 0.79 PTGS1 (0.56) MAOBKDM4EALDH1A1CYP19A1HPGD
SCHEMBL2426601 0.78 NPC1 (0.47) MAOBKDM4EALDH1A1HPGDHSD17B10

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 2 patents. 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
WO-2011107572-A1 FERROCENYL FLAVONOIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-09-09 — — WO disclosed
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