SCHEMBL20192192

SCHEMBL20192192

CC[N+](CC)=c1ccc2c(-c3ccccc3CO)c3ccc([O-])c(C4OCCCO4)c3oc-2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ TGM2 P21980 1/20 0.30

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
SCHEMBL18637031 0.91 ERN1 (0.35) MEN1USP2POLBPPARGBLM
SCHEMBL20192126 0.80 MEN1 (0.38) MEN1USP2POLBPPARGBLM
SCHEMBL18637296 0.75 ERN1 (0.35) —
SCHEMBL20192151 0.75 MEN1 (0.45) MEN1USP2POLBPPARGBLM
SCHEMBL18637030 0.73 ERN1 (0.38) MEN1USP2POLBPPARGBLM
SCHEMBL15483660 0.72 MEN1 (0.45) MEN1USP2POLBPPARGBLM
SCHEMBL15704723 0.69 MEN1 (0.61) MEN1USP2POLBPPARGBLM
SCHEMBL19635158 0.61 MEN1 (0.42) MEN1USP2POLBPPARGBLM
SCHEMBL19494744 0.59 SOS1 (0.44) MEN1POLBKMT2A
SCHEMBL20192210 0.59 ABCB1 (0.55) MEN1USP2POLBPPARGBLM

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
EP-3144315-B1 ENZYME-SPECIFIC FLUORESCENT COMPOUND CAPABLE OF BEING RETAINED IN CELLS UNIV TOKYO (JP) 2022-07-06 — — EP disclosed
US-9981934-B2 Enzyme-specific fluorescent compound capable of being retained in cells THE UNIVERSITY OF TOKYO (JP) 2018-05-29 — — US disclosed
Send feedback