SCHEMBL2425298

SCHEMBL2425298

O=c1cc(C23C4C5C6C2[Fe]56432789C3C2C7C8C39)oc2c(Br)cc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 3/20 0.38
▸ CSNK2B P67870 3/20 0.38
▸ CSNK2A1 P68400 3/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ GPR35 Q9HC97 3/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL2425359 0.82 GPR35 (0.38) GPR35
SCHEMBL2420726 0.77 GABRP (0.47) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2424371 0.74 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1GPR35PTPN1
SCHEMBL2427221 0.72 ESR1 (0.31) —
SCHEMBL2423719 0.70 TERT (0.48) —
SCHEMBL2427955 0.69 CYP1B1 (0.51) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2425083 0.69 TNKS (0.45) CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL2422587 0.69 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1GPR35
SCHEMBL2422315 0.68 KMT2A (0.36) CSNK2A2CSNK2BCSNK2A1NQO1
SCHEMBL2423285 0.66 MAOB (0.47) NQO1

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
Send feedback