SCHEMBL19699730

SCHEMBL19699730

O=S(=O)(c1ccccc1)c1nc2c(nc1[S+]([O-])c1ccccc1)c1nc(S(=O)(=O)c3ccccc3)c(S(=O)(=O)c3ccccc3)nc1c1nc([S+]([O-])c3ccccc3)c(S(=O)(=O)c3ccccc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
ABCB1 P08183 5/20 0.37
ABCC1 P33527 4/20 0.37
NLRP3 Q96P20 1/20 0.37
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
PIK3CA P42336 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL19629012 1.00 HTR6 (0.38) HTR6ABCB1ABCC1NLRP3KMT2A
SCHEMBL45909 0.80 HTR6 (0.59) HTR6ABCB1ABCC1NLRP3KMT2A
(Phenylsulfonyl)Benzene SCHEMBL11696343 0.74 HTR6 (0.64) HTR6KMT2AMEN1ALDH1A1MAPT
SCHEMBL17928342 0.68 HTR6 (0.54) HTR6ALDH1A1MAPTCA12CA1
(Phenylsulfonyl)Benzene SCHEMBL20187590 0.66 HTR6 (0.50) HTR6KMT2AMEN1ALDH1A1MAPT
SCHEMBL16170881 0.66 ALDH1A1 (0.49) HTR6KMT2AALDH1A1MAPTPIK3CA
SCHEMBL23865551 0.65 HTR6 (0.42) HTR6KMT2ARAB9AALDH1A1MAPT
SCHEMBL25850553 0.65 ALDH1A1 (0.48) HTR6KMT2AALDH1A1MAPTPIK3CA
SCHEMBL6693894 0.65 HTR6 (0.59) HTR6ABCB1ABCC1NLRP3KMT2A
SCHEMBL20367169 0.64 HTR6 (0.58) HTR6KMT2AMEN1ALDH1A1MAPT

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-20170358767-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2017-12-14 US disclosed