SCHEMBL9717015

SCHEMBL9717015

CC(=O)Oc1cc(S(=O)(=O)Cl)c2ccc3c(S(=O)(=O)Cl)c(S(=O)(=O)Cl)cc4ccc1c2c43

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL218851 0.86 HTT (0.39) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL9962926 0.84 KMT2A (0.42) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL9614315 0.83 HTT (0.39) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL19939980 0.81 HTT (0.35) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL216727 0.79 KMT2A (0.35) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL13039218 0.76 HTT (0.32) KMT2AKDM4EALDH1A1BLMTDP1
SCHEMBL5053716 0.75 TRPV4 (0.31)
SCHEMBL9613943 0.75 TRPV4 (0.31)
SCHEMBL9962933 0.74 ITGA1 (0.37) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL9962934 0.73 KMT2A (0.37) KMT2AKDM4EALDH1A1POLBMAPT

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-5091800-A Cover layer for optical ion sensors AVL AG (AT) 1992-02-25 US disclosed