SCHEMBL4832551

SCHEMBL4832551

c1ccc(NC2CN(Cc3ccc(CNCc4ccccn4)cc3)CC2Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL29823450 0.83 CXCR4 (0.58) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1878715 0.83 CXCR4 (0.58) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1882689 0.81 CXCR4 (0.56) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3315026 0.81 CXCR4 (0.56) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3315031 0.81 CXCR4 (0.56) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL31722272 0.81 CXCR4 (0.56) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1882687 0.81 CXCR4 (0.56) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1871874 0.81 CXCR4 (0.51) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29823621 0.81 CXCR4 (0.51) CXCR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4063069 0.80 MAOA (0.46) CXCR4ALDH1A1L3MBTL1MAOAMAOB

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-1991221-A2 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION Genzyme Corporation (US) 2008-11-19 — — EP disclosed
WO-2007106063-A2 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION (US) 2007-09-20 — — WO disclosed
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