SCHEMBL11087604

SCHEMBL11087604

C=CCN(CC=C)S(=O)(=O)c1cccc(F)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
KCNA5 P22460 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
C5AR1 P21730 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
S1PR1 P21453 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KAT6A Q92794 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RORC P51449 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
SCHEMBL11095729 0.83 RAB9A (0.39) RAB9AMAPTTDP1KDM4EPOLB
SCHEMBL11088824 0.83 RAB9A (0.39) RAB9AMAPTTDP1KDM4EPOLB
SCHEMBL11083190 0.81 HTT (0.46) KCNA5TDP1KDM4EPOLBMEN1
SCHEMBL11089868 0.76 ALDH1A1 (0.56) RAB9AKDM4EPOLBHTTALDH1A1
SCHEMBL11087332 0.76 ALDH1A1 (0.37) KCNA5KDM4EHTTALDH1A1KAT6A
SCHEMBL11085124 0.71 PTGES2 (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL970204 0.71 TRPV4 (0.42) KDM4EHTTALDH1A1KAT6AHPGD
SCHEMBL15461576 0.71 EPAS1 (0.45) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL24791572 0.68 RAB9A (0.48) RAB9AMAPTTDP1KDM4EPOLB
SCHEMBL10351908 0.68 RAB9A (0.48) RAB9AKCNA5MAPTTDP1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033984-B1 NEW SULPHONYL COMPOUNDS, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS APHICIDAL COMPOSITIONS ON THE BASIS OF THE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1984-06-06 EP disclosed
US-4379157-A Sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1983-04-05 US disclosed
EP-0033984-A1 New sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-08-19 EP disclosed