SCHEMBL5323358

SCHEMBL5323358

O=CC(N1CCN(c2cccc(F)c2)CC1)n1ncc2c1-c1ccccc1OC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.46
▸ TP53 P04637 6/20 0.46
▸ GAA P10253 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RXFP1 Q9HBX9 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A2 P11168 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ PIK3CA P42336 1/20 0.34

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
SCHEMBL5325470 0.90 TP53 (0.55) MAPTTP53GAAHSD17B10KDM4E
SCHEMBL5324564 0.88 MAPT (0.61) MAPTTP53GAAKDM4ERXFP1
SCHEMBL5323078 0.81 TP53 (0.44) MAPTTP53GAAHSD17B10KDM4E
SCHEMBL5326013 0.80 KDM4E (0.58) MAPTTP53GAAHSD17B10KDM4E
SCHEMBL3189890 0.74 TP53 (0.81) MAPTTP53GAAHSD17B10KDM4E
SCHEMBL5326087 0.72 MEN1 (0.46) MAPTTP53GAALMNAPOLB
SCHEMBL3188884 0.64 TP53 (0.82) MAPTTP53GAAHSD17B10KDM4E
SCHEMBL3198625 0.64 TP53 (0.82) MAPTTP53GAAHSD17B10KDM4E
SCHEMBL5321302 0.64 MAPT (0.39) MAPTTP53KDM4ERXFP1ALDH1A1
SCHEMBL5698648 0.63 SMN1; SMN2 (0.47) MAPTKDM4ELMNAPOLBMEN1

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
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 — — WO disclosed
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