SCHEMBL28704555

SCHEMBL28704555

NCCc1cn(CCO)cn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
MTOR P42345 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
CPB2 Q96IY4 13/20 0.44
CPB1 P15086 6/20 0.40
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL15020818 0.89 CPB2 (0.54) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL22783610 0.86 CYP2C9 (0.62) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL28875894 0.85 CYP2C9 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL9803226 0.85 TDP1 (0.63) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1789627 0.83 CYP2C9 (0.58) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL2259317 0.81 TDP1 (0.59) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1887218 0.81 CYP2C9 (0.61) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1787076 0.81 CYP2C9 (0.56) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL4046577 0.80 TDP1 (0.62) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1787074 0.80 CYP2C9 (0.54) CYP2C9TSHRCYP2C19MTORHRH4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113960006-B Method for detecting biogenic amine by double-proportion fluorescent sensor 河北工业大学 2024-07-12 CN disclosed
CN-115074111-A Preparation method of histamine fluorescence sensing material 天津科技大学 2022-09-20 CN disclosed
CN-113960006-A Method for detecting biogenic amine by using double-proportion fluorescent sensor 河北工业大学 2022-01-21 CN disclosed