SCHEMBL30163145

SCHEMBL30163145

O=C(NCCO)c1c[nH]nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ACR P10323 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALPL P05186 4/20 0.37
CNR1 P21554 1/20 0.37
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NTRK2 Q16620 1/20 0.35
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL15831272 0.83 LMNA (0.36) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL27742437 0.82 KDM4E (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL9957276 0.81 CNR1 (0.38) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL1808230 0.79
SCHEMBL4781428 0.77 ADORA2A (0.37) CNR1
SCHEMBL4758620 0.76
SCHEMBL22372184 0.76 HIF1A (0.45) ALDH1A1KDM4ECNR1
SCHEMBL18410268 0.75 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL31032543 0.75 SMN1; SMN2 (0.55) KMT2AALDH1A1HPGD
SCHEMBL3110861 0.75 NPC1 (0.58) ALDH1A1HPGDPOLBMAPT

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-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 WO disclosed