SCHEMBL2421160

SCHEMBL2421160

CC(=O)c1cc2c(=O)cc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)oc2cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ CA9 Q16790 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PTPN1 P18031 3/20 0.38
▸ CYP3A4 P08684 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HPGD P15428 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL2422315 0.77 KMT2A (0.36) KDM4EKMT2AMEN1MAPTTP53
SCHEMBL2427139 0.75 HPGD (0.49) KDM4EHTTCA9ALDH1A1KMT2A
SCHEMBL2424881 0.75 MAPT (0.49) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL2424542 0.73 CSNK2A2 (0.47) KDM4ECA9ALDH1A1KMT2AMEN1
SCHEMBL2427221 0.73 ESR1 (0.31) —
SCHEMBL2426267 0.72 STS (0.58) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL2426911 0.71 AR (0.47) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL2425083 0.70 TNKS (0.45) KDM4ECA9ALDH1A1NPC1RAB9A
SCHEMBL2429282 0.69 ALDH1A1 (0.41) KDM4ECA9ALDH1A1KMT2AMEN1
SCHEMBL2420726 0.69 GABRP (0.47) CA9CYP3A4MAPTTP53RECQL

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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