SCHEMBL6660652

SCHEMBL6660652

Cc1ccc([I+]c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TEAD4 Q15561 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 1/20 0.38
LTA4H P09960 4/20 0.37
TSHR P16473 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6658051 0.97 HTT (0.44) HTTSMN1; SMN2TEAD4ALDH1A1MAPT
SCHEMBL4643982 0.91 LTA4H (0.42) LTA4HTSHRMEN1KMT2ANPC1
SCHEMBL4644201 0.90 LTA4H (0.41) LTA4HTSHRMEN1KMT2ANPC1
SCHEMBL685974 0.89 HTT (0.52) HTTSMN1; SMN2TEAD4ALDH1A1MAPT
SCHEMBL686073 0.89 HTT (0.52) HTTSMN1; SMN2TEAD4ALDH1A1MAPT
SCHEMBL686351 0.89 HTT (0.52) HTTSMN1; SMN2TEAD4ALDH1A1MAPT
SCHEMBL685346 0.88 HTT (0.55) HTTSMN1; SMN2TEAD4ALDH1A1MAPT
Perchlorate SCHEMBL4643788 0.87 TEAD4 (0.40) HTTSMN1; SMN2TEAD4ALDH1A1MAPT
SCHEMBL686357 0.86 HTT (0.56) HTTSMN1; SMN2TEAD4ALDH1A1MAPT
SCHEMBL4444572 0.86 HTT (0.56) HTTSMN1; SMN2TEAD4ALDH1A1MAPT

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-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed