SCHEMBL20599543

SCHEMBL20599543

CCc1cc(C)ccc1S(=O)(=O)OOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
MCOLN3 Q8TDD5 2/20 0.32
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
XBP1 P17861 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
SCHEMBL17895348 0.83 RAPGEF4 (0.37) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL21388018 0.80 TSHR (0.41) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL29624394 0.80 TSHR (0.41) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL15018736 0.78 RAPGEF4 (0.38) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL28823865 0.78 RAPGEF4 (0.38) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL2656784 0.77 RAPGEF4 (0.37) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL4138945 0.75 RAPGEF4 (0.42) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL31525012 0.74 SMN1; SMN2 (0.32) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL15965543 0.73 L3MBTL1 (0.42) RAPGEF4TSHRHSD17B10CASP1CASP7
SCHEMBL10995940 0.73 LMNA (0.44) RAPGEF4TSHRHSD17B10CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645516-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Janssen Pharmaceutica NV (BE) 2020-05-06 EP disclosed
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 WO disclosed