SCHEMBL2423287

SCHEMBL2423287

Cc1cc(C)c2c(=O)cc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PON1 P27169 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ MAPT P10636 8/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL2430119 0.79 ALDH1A1 (0.49) KMT2AMEN1KDM4EMAPK1CSNK2A2
SCHEMBL2422315 0.78 KMT2A (0.36) KMT2AMEN1KDM4ECSNK2A2CSNK2B
SCHEMBL2425388 0.76 MAPT (0.48) RAB9AKDM4EMAPK1CSNK2A2CSNK2B
SCHEMBL2427225 0.75 KMT2A (0.54) KMT2AMEN1RAB9AATMKDM4E
SCHEMBL2423693 0.74 CSNK2A2 (0.40) KMT2AMEN1RAB9AMAPK1CSNK2A2
SCHEMBL2426361 0.74 ALOX15 (0.38) KMT2AMEN1KDM4ECSNK2A2CSNK2B
SCHEMBL2427221 0.74 ESR1 (0.31) —
SCHEMBL2427637 0.74 ABCB1 (0.51) KMT2AMEN1RAB9AKDM4EMAPT
SCHEMBL2426911 0.72 AR (0.47) KMT2AMEN1ATMKDM4EMAPK1
SCHEMBL2421053 0.72 ALDH1A1 (0.51) KMT2AMEN1RAB9AKDM4EMAPK1

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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