SCHEMBL28392909

SCHEMBL28392909

COC(=O)N1CCN(c2ccc(NC(=N)N)nc2)CC1.N=C(N)Nc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 2/20 0.51
▸ TGM1 P22735 2/20 0.51
▸ F13A1 P00488 1/20 0.51
▸ WNT3A P56704 5/20 0.51
▸ HDAC1 Q13547 1/20 0.50
▸ TMEM97 Q5BJF2 4/20 0.46
▸ SIGMAR1 Q99720 4/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ HRH2 P25021 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46

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
SCHEMBL28392908 0.86 F13A1 (0.43) TGM2TGM1F13A1WNT3AHDAC1
SCHEMBL2491807 0.80 CA1 (0.57) TGM2TGM1F13A1TMEM97SIGMAR1
SCHEMBL30385390 0.77 TMEM97 (0.53) HDAC1TMEM97SIGMAR1HRH1HRH3
SCHEMBL4069752 0.77 WNT3A (0.58) TGM2TGM1F13A1WNT3ASMN1; SMN2
SCHEMBL29020756 0.77 TMEM97 (0.53) HDAC1TMEM97SIGMAR1HRH1HRH3
SCHEMBL22581840 0.77 TMEM97 (0.52) TGM2TGM1HDAC1TMEM97SIGMAR1
SCHEMBL28394845 0.77 ALDH1A1 (0.52) HDAC1HTR2ASMN1; SMN2
SCHEMBL30748466 0.77 TMEM97 (0.50) HDAC1TMEM97SIGMAR1HRH1HRH3
SCHEMBL29169351 0.77 TMEM97 (0.50) HDAC1TMEM97SIGMAR1HRH1HRH3
SCHEMBL18453164 0.77 WNT3A (0.53) WNT3AAOC3

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
CN-109928975-B Industrial preparation method of Riboxini 新发药业有限公司 2020-04-28 — — CN claimed
CN-109928975-B Industrial preparation method of Riboxini 新发药业有限公司 2020-04-28 — — CN disclosed
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