SCHEMBL30338237

SCHEMBL30338237

c1ccc(CNCc2cccc(CN(Cc3ccccn3)Cc3c[nH]cn3)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 5/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMARCA2 P51531 1/20 0.40
APP P05067 1/20 0.39
CXCR4 P61073 2/20 0.39
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.37
CCR5 P51681 1/20 0.37
TP53 P04637 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL1875063 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL1882890 0.91 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL29823331 0.91 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL4428290 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL14931741 0.78 KMT2A (0.68) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL30225577 0.78 KMT2A (0.68) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL13016958 0.78 MAPT (0.63) KMT2AL3MBTL1SMN1; SMN2MAPTLIN28A
SCHEMBL6781182 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL22305532 0.72 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL21975726 0.72 KMT2A (0.60) ALDH1A1MEN1KMT2AL3MBTL1KDM4E

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-115997009-A Methods and compositions for in vivo transduction of hematopoietic stem and progenitor cells 美真达治疗公司 2023-04-21 CN disclosed