SCHEMBL28623314

SCHEMBL28623314

c1ccc(CNCc2cccc(CN3CCNCC3)c2)nc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.70
ALDH1A1 P00352 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
CHRM3 P20309 3/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL1882484 0.95 CXCR4 (0.78) CXCR4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL29823307 0.95 CXCR4 (0.78) CXCR4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL14895279 0.93 CXCR4 (0.82) CXCR4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL14135600 0.91 CXCR4 (0.60) CXCR4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL29823221 0.84 CXCR4 (0.95) CXCR4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL1879358 0.84 CXCR4 (0.95) CXCR4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL1535926 0.84 CXCR4 (0.87) CXCR4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL14640056 0.84 CXCR4 (0.72) CXCR4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL16855796 0.84 CXCR4 (0.63) CXCR4MEN1KMT2ASIGMAR1CHRM3
SCHEMBL13527941 0.82 CXCR4 (1.00) CXCR4ALDH1A1L3MBTL1ALOX15TSHR

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
CN-113302287-A Methods for hematopoietic stem and progenitor cell transplantation therapy 美真达治疗公司 2021-08-24 CN disclosed