SCHEMBL9587047

SCHEMBL9587047

O=S(=O)(c1ccc(I)cc1)n1ccc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.75
HTT P42858 3/20 0.75
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
HPGD P15428 1/20 0.75
TSHR P16473 1/20 0.75
L3MBTL1 Q9Y468 2/20 0.71
PKM P14618 1/20 0.71
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RAPGEF4 Q8WZA2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MET P08581 1/20 0.49
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.45

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
SCHEMBL429849 0.86 HTR6 (1.00) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL29558135 0.86 HTR6 (1.00) HTR6HTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28794299 0.84 HTR6 (0.96) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL29414854 0.83 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL4862697 0.83 HTT (1.00) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL1673252 0.83 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL31663420 0.83 HTR6 (0.81) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL3967709 0.83 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL1203289 0.82 HTR6 (0.73) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL3331751 0.81 HTR6 (0.68) HTR6HTTMEN1KMT2AALDH1A1

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
WO-1993013079-A1 ANTIFOLATE QUINAZOLINES AGOURON PHARMACEUTICALS, INC. (US) 1993-07-08 WO disclosed