SCHEMBL28600447

SCHEMBL28600447

N=C(N)N(CCc1ccc(O)cc1)C(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR3A P46098 1/20 0.48
BACE1 P56817 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BLM P54132 2/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA2 P00918 2/20 0.45
LTA4H P09960 1/20 0.42
ABAT P80404 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL1744969 0.82 NOS1 (0.52) HTR3ATAAR1KMT2ATDP1OPRK1
SCHEMBL30602874 0.81 ESR1 (0.46) ESR1ESR2KDM4EALDH1A1HTR1A
SCHEMBL7473461 0.79 ESRRG (0.44) KDM4EL3MBTL1BLMCA2OPRM1
SCHEMBL4325564 0.73 ESR1 (0.52) ESR1ESR2KDM4EALDH1A1HTR1A
SCHEMBL11331545 0.72 KDM4E (0.52) ESR1ESR2KDM4EALDH1A1HTR1A
SCHEMBL9524242 0.70 ESR1 (0.59) ESR1ESR2KDM4EALDH1A1HTR1A
SCHEMBL9695246 0.70 ESR1 (0.59) ESR1ESR2KDM4EALDH1A1HTR1A
Hordenine SCHEMBL19896488 0.70 HRH3 (0.67) ESR1ESR2KDM4EALDH1A1HTR1A
Hordenine SCHEMBL36798 0.70 HRH3 (0.67) ESR1ESR2KDM4EALDH1A1HTR1A
SCHEMBL339144 0.70 ESR1 (0.59) ESR1ESR2KDM4EALDH1A1HTR1A

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-108892699-B Refining method of high-purity nucleotide 南通秋之友生物科技有限公司 2021-07-30 CN disclosed