SCHEMBL5326013

SCHEMBL5326013

O=CC(N1CCN(c2ccccn2)CC1)n1ncc2c1-c1ccccc1OC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ GAA P10253 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TP53 P04637 4/20 0.41
▸ OGA O60502 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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 0.86 TP53 (0.55) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL5323358 0.80 MAPT (0.46) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL5324564 0.79 MAPT (0.61) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL3198921 0.73 HSD17B10 (1.00) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL5326087 0.72 MEN1 (0.46) GAAALDH1A1MAPTTSHRTP53
SCHEMBL15017217 0.65 ALDH1A1 (0.50) KDM4EHSD17B10GAAALDH1A1MAPT
SCHEMBL5321302 0.64 MAPT (0.39) KDM4EALDH1A1MAPTRXFP1TP53
SCHEMBL4016957 0.63 KDM4E (0.44) KDM4EHSD17B10GAAALDH1A1MAPT
SCHEMBL15800694 0.62 PLD1 (0.73) KDM4EHSD17B10GAAALDH1A1MAPT
SCHEMBL21353591 0.62 — —

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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