SCHEMBL2425388

SCHEMBL2425388

Cc1ccc2oc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)cc(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KCNA5 P22460 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ POLB P06746 1/20 0.40

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 0.89 ALDH1A1 (0.49) MAPTHTTKDM4EALDH1A1TP53
SCHEMBL2420726 0.83 GABRP (0.47) MAPTTP53CYP3A4MAPK1CSNK2A2
SCHEMBL2424973 0.83 ADCY1 (0.49) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL2424881 0.83 MAPT (0.49) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL2422315 0.82 KMT2A (0.36) MAPTKDM4ETP53CSNK2A2CSNK2B
SCHEMBL2427801 0.82 ALDH1A1 (0.52) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL2425083 0.81 TNKS (0.45) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL2426267 0.80 STS (0.58) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL2422437 0.79 KDM4E (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2424542 0.78 CSNK2A2 (0.47) MAPTKDM4EALDH1A1HPGDHSD17B10

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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