SCHEMBL21388034

SCHEMBL21388034

O=S(=O)(OCOS(=O)(=O)c1ccccc1)C1=CCCC=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
PARL Q9H300 2/20 0.37
ALDH1A1 P00352 9/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
PSIP1 O75475 1/20 0.32
HTR6 P50406 1/20 0.32
MAPK1 P28482 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
S1PR2 O95136 3/20 0.31
LMNA P02545 3/20 0.31
XBP1 P17861 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 2/20 0.31
MPI P34949 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 2/20 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
SCHEMBL25873077 0.85 TDP1 (0.38) TDP1PARLALDH1A1MAPTKMT2A
SCHEMBL6115076 0.80 PARL (0.50) TDP1PARLALDH1A1MAPTKMT2A
SCHEMBL5502769 0.78 HTR6 (0.48) TDP1ALDH1A1KMT2AHTR6LMNA
SCHEMBL24284446 0.73 GAA (0.31) HTR6
SCHEMBL15661681 0.70 GAA (0.50) TDP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL22137262 0.70
SCHEMBL19648485 0.70
SCHEMBL6114662 0.70 PARL (0.56) PARLALDH1A1KMT2ASMN1; SMN2CA12
SCHEMBL3133897 0.70 PSIP1 (0.45) TDP1PARLALDH1A1MAPTKMT2A
SCHEMBL3449015 0.68 PARL (0.50) TDP1PARLALDH1A1MAPTKMT2A

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-2827433-B1 SECONDARY BATTERY ELECTROLYTE AND SECONDARY BATTERY USING SAME ENVISION AESC ENERGY DEVICES LTD (JP) 2019-09-25 EP disclosed