SCHEMBL2429164

SCHEMBL2429164

O=C(c1ccccc1)c1c(C23C4C5C6C2[Fe]56432789C3C2C7C8C39)oc2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 12/20 0.46
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TTR P02766 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PGAM1 P18669 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
Xanthone SCHEMBL9762833 0.72 MAOA (0.69) CYP2C9MAPTALDH1A1KMT2AMEN1
SCHEMBL27784285 0.71 KMT2A (0.63) CYP2C9MAPTALDH1A1KMT2AMEN1
SCHEMBL12324695 0.69 CYP2C9 (0.61) CYP2C9MAPTALDH1A1KMT2AMEN1
SCHEMBL11048783 0.68 CYP2C9 (0.53) CYP2C9MAPTALDH1A1KMT2AMEN1
SCHEMBL1666903 0.67 CYP2C9 (0.49) CYP2C9MAPTALDH1A1KMT2AMEN1
SCHEMBL5562068 0.67 MAPT (0.58) CYP2C9MAPTALDH1A1KMT2ALMNA
SCHEMBL11492748 0.66 MAPT (0.62) CYP2C9MAPTALDH1A1KMT2AMEN1
Xanthone SCHEMBL28077164 0.66 TTR (0.75) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL9659870 0.66 KMT2A (0.62) CYP2C9MAPTALDH1A1KMT2AMEN1
SCHEMBL6242650 0.65 TTR (0.77) CYP2C9MAPTALDH1A1NPC1TTR

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 1 patent. 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
Send feedback