SCHEMBL2423693

SCHEMBL2423693

Cc1cc2oc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)cc(=O)c2cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MAPT P10636 4/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 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 0.89 KMT2A (0.36) CSNK2A2CSNK2BCSNK2A1KMT2AMEN1
SCHEMBL2427221 0.84 ESR1 (0.31) —
SCHEMBL2426361 0.84 ALOX15 (0.38) CSNK2A2CSNK2BCSNK2A1ALDH1A1GAA
SCHEMBL2425388 0.78 MAPT (0.48) CSNK2A2CSNK2BCSNK2A1ALDH1A1TDP1
SCHEMBL2430119 0.78 ALDH1A1 (0.49) CSNK2A2CSNK2BCSNK2A1ALDH1A1GAA
SCHEMBL2426294 0.78 AHR (0.38) ALDH1A1TSHRMCL1HPGD
SCHEMBL2423287 0.74 KMT2A (0.38) CSNK2A2CSNK2BCSNK2A1ALDH1A1KMT2A
SCHEMBL2425083 0.73 TNKS (0.45) CSNK2A2CSNK2BCSNK2A1ALDH1A1TDP1
SCHEMBL2429282 0.72 ALDH1A1 (0.41) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL2420726 0.72 GABRP (0.47) CSNK2A2CSNK2BCSNK2A1MAPTMAPK1

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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