SCHEMBL2423285

SCHEMBL2423285

O=c1cc(C23C4C5C6C2[Fe]56432789C3C2C7C8C39)oc2cc(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.47
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ NQO1 P15559 1/20 0.38
▸ GABRP O00591 4/20 0.36
▸ GABRD O14764 4/20 0.36
▸ GABRA1 P14867 4/20 0.36
▸ GABRB1 P18505 4/20 0.36
▸ GABRG2 P18507 4/20 0.36
▸ GABRB3 P28472 4/20 0.36
▸ GABRA5 P31644 4/20 0.36
▸ GABRA3 P34903 4/20 0.36
▸ GABRA2 P47869 4/20 0.36
▸ GABRB2 P47870 4/20 0.36
▸ GABRA4 P48169 4/20 0.36
▸ GABRE P78334 4/20 0.36
▸ GABRA6 Q16445 4/20 0.36
▸ GABRG1 Q8N1C3 4/20 0.36
▸ GABRG3 Q99928 4/20 0.36
▸ GABRQ Q9UN88 4/20 0.36

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
SCHEMBL2430119 0.83 ALDH1A1 (0.49) MAOBPARP1PARP2TNKSTNKS2
SCHEMBL2429282 0.83 ALDH1A1 (0.41) MAOB
SCHEMBL2427139 0.83 HPGD (0.49) MAOBPARP1TNKSTNKS2
SCHEMBL2426294 0.83 AHR (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2425083 0.81 TNKS (0.45) MAOBGABRPGABRDGABRA1GABRB1
SCHEMBL2425524 0.80 MAOB (0.53) MAOBCYP11B1TNKS
SCHEMBL2424066 0.77 KDM4E (0.46) MAOB
SCHEMBL2422315 0.77 KMT2A (0.36) NQO1
SCHEMBL2427113 0.76 KDM4E (0.50) MAOB
SCHEMBL2420726 0.74 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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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