SCHEMBL26319348

SCHEMBL26319348

C/C=C/C1=[N+](C)c2ccc(S(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.45
MAPT P10636 6/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
THRB P10828 4/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 3/20 0.43
RAB9A P51151 3/20 0.43
RECQL P46063 3/20 0.43
S1PR4 O95977 2/20 0.43
ALPG P10696 2/20 0.43
PKM P14618 2/20 0.43
S1PR1 P21453 2/20 0.43
NTSR1 P30989 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 4/20 0.41
KDM4E B2RXH2 2/20 0.41
XBP1 P17861 2/20 0.41

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
SCHEMBL559919 0.79 LMNA (0.36) VDRMAPTMEN1KMT2ATHRB
SCHEMBL1655903 0.79 MEN1 (0.55) VDRMAPTMEN1KMT2ATHRB
SCHEMBL1655907 0.79 MEN1 (0.55) VDRMAPTMEN1KMT2ATHRB
SCHEMBL9998464 0.77 HTT (0.46) MAPTMEN1KMT2ATHRBLMNA
SCHEMBL13496725 0.77 HTT (0.46) MAPTMEN1KMT2ATHRBLMNA
SCHEMBL15185614 0.76 VDR (0.36) VDRMAPTMEN1KMT2ATHRB
SCHEMBL14781535 0.75 ALDH1A1 (0.33) VDRLMNAALDH1A1KDM4ETDP1
SCHEMBL14945226 0.74 HTT (0.54) MAPTMEN1KMT2ATHRBLMNA
SCHEMBL1709062 0.74 HTT (0.50) MAPTMEN1KMT2ATHRBLMNA
SCHEMBL19662368 0.74 FOLH1 (0.48) MAPTMEN1KMT2ATHRBLMNA

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-4234566-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI Shenzhen (CN) 2023-08-30 EP disclosed