SCHEMBL25429012

SCHEMBL25429012

CCC/[N+](C)=c1\ccc2c(-c3ccc(C(=O)O)cc3C)c3ccc(N(C)C)cc3oc-2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ P2RY6 Q15077 1/20 0.51
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ ITPR1 Q14643 1/20 0.40
▸ USP2 O75604 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ P2RY2 P41231 1/20 0.38
▸ GBA1 P04062 2/20 0.38
▸ HTR3A P46098 1/20 0.38

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
SCHEMBL25342430 0.88 P2RY6 (0.49) MEN1BLMKMT2ATHRBRECQL
SCHEMBL26210623 0.88 MEN1 (0.48) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25342425 0.88 P2RY6 (0.49) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25431913 0.85 P2RY6 (0.45) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25386342 0.85 P2RY6 (0.48) MEN1BLMKMT2ATHRBRECQL
SCHEMBL18713197 0.82 MEN1 (0.62) MEN1BLMKMT2ATHRBRECQL
SCHEMBL26211786 0.82 P2RY6 (0.48) MEN1BLMKMT2ATHRBRECQL
SCHEMBL10293759 0.81 P2RY6 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25342647 0.81 P2RY6 (0.48) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25342641 0.81 P2RY6 (0.48) MEN1BLMKMT2ATHRBRECQL

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
EP-4225122-A1 ZWITTERIONIC CELL-PERMEANT AND WATER-SOLUBLE RHODAMINE DYES FOR QUANTITATIVE IMAGING APPLICATIONS Oregon Health & Science University (US) 2023-08-16 — — EP disclosed
Send feedback