SCHEMBL2423719

SCHEMBL2423719

O=c1cc(C23C4C5C6C2[Fe]56432789C3C2C7C8C39)oc2c(O)c(O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 10/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ ALOX15 P16050 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ TP53 P04637 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ IKBKB O14920 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ NTRK2 Q16620 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP2C9 P11712 2/20 0.47

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
SCHEMBL2426458 0.77 TP53 (0.35) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2427955 0.77 CYP1B1 (0.51) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2427139 0.76 HPGD (0.49) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2426486 0.75 AHR (0.38) MAPT
SCHEMBL2424881 0.73 MAPT (0.49) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2426911 0.72 AR (0.47) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2425083 0.71 TNKS (0.45) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL2426294 0.70 AHR (0.38) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL2429282 0.70 ALDH1A1 (0.41) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL2423285 0.70 MAOB (0.47) MAOB

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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