SCHEMBL20192151

SCHEMBL20192151

CC[N+](CC)=c1ccc2c(-c3ccccc3CO)c3ccc([O-])cc3oc-2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ BLM P54132 3/20 0.45
▸ USP2 O75604 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ PPARG P37231 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TGM2 P21980 1/20 0.36
▸ FPR2 P25090 4/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ P2RY6 Q15077 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ PLEC Q15149 1/20 0.33
▸ AVPR2 P30518 2/20 0.33
▸ CHRM1 P11229 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
SCHEMBL15483660 0.88 MEN1 (0.45) MEN1KMT2ABLMUSP2POLB
SCHEMBL15704723 0.85 MEN1 (0.61) MEN1KMT2ABLMUSP2POLB
SCHEMBL20192210 0.81 ABCB1 (0.55) MEN1KMT2ABLMUSP2POLB
SCHEMBL20192126 0.81 MEN1 (0.38) MEN1KMT2ABLMUSP2POLB
SCHEMBL18637030 0.77 ERN1 (0.38) MEN1KMT2ABLMUSP2POLB
SCHEMBL17409220 0.73 MEN1 (0.59) MEN1KMT2ABLMUSP2POLB
SCHEMBL12763951 0.72 POLB (0.50) MEN1KMT2ABLMUSP2POLB
SCHEMBL19494774 0.72 USP2 (0.53) MEN1KMT2ABLMUSP2POLB
SCHEMBL9001017 0.72 MEN1 (0.57) MEN1KMT2ABLMUSP2POLB
SCHEMBL18637031 0.72 ERN1 (0.35) MEN1KMT2ABLMUSP2POLB

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
US-9981934-B2 Enzyme-specific fluorescent compound capable of being retained in cells THE UNIVERSITY OF TOKYO (JP) 2018-05-29 — — US disclosed
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