SCHEMBL2420589

SCHEMBL2420589

CC(=O)Nc1ccc2c(=O)cc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ POLB P06746 2/20 0.47
▸ MAP2K1 Q02750 1/20 0.46
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ATM Q13315 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38

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
SCHEMBL2424542 0.91 CSNK2A2 (0.47) CA12CA1CA9POLBMAP2K1
SCHEMBL2430119 0.78 ALDH1A1 (0.49) POLBKMT2AMEN1MAPTKDM4E
SCHEMBL2425083 0.74 TNKS (0.45) CA12CA1CA9POLBMAPT
SCHEMBL2427221 0.69 ESR1 (0.31) ESR1
SCHEMBL2427801 0.68 ALDH1A1 (0.52) POLBKMT2AMEN1MAPTKDM4E
SCHEMBL10890144 0.68 TNKS (0.61) CA12CA1CA9POLBMAP2K1
SCHEMBL30449676 0.67 CA12 (1.00) CA12CA1CA9MAP2K1KMT2A
SCHEMBL8516165 0.67 CA12 (1.00) CA12CA1CA9MAP2K1KMT2A
SCHEMBL14295750 0.67 NPC1 (0.71) CA12CA1CA9POLBMAP2K1
SCHEMBL29399888 0.67 NPC1 (0.71) CA12CA1CA9POLBMAP2K1

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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