SCHEMBL9243134

SCHEMBL9243134

C=CC(F)c1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.33
MEP1B Q16820 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
ELAVL1 Q15717 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MPL P40238 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL5412418 0.83 GAA (0.36) MAPTLMNAGAAMEP1BKDM4E
SCHEMBL776505 0.82 GAA (0.36) MAPTLMNAGAAMEP1BKDM4E
SCHEMBL10844132 0.81 MAOA (0.33) MAPTLMNAGAAMEP1BKDM4E
SCHEMBL242353 0.80 LMNA (0.36) MAPTLMNAGAAMEP1BKDM4E
SCHEMBL625780 0.79 GAA (0.35) MAPTLMNAGAAMEP1BKDM4E
SCHEMBL7758367 0.78 GAA (0.31) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL3181729 0.77 MYC (0.35) TDP1
SCHEMBL7597926 0.77 ATM (0.39) MAPTLMNAGAAKDM4EMEN1
SCHEMBL9101570 0.76 LMNA (0.38) MAPTLMNAGAAMEP1BKDM4E
SCHEMBL531432 0.76 LMNA (0.47) MAPTLMNAGAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5213897-A None JP disclosed
JP-7041449-A None JP disclosed
JP-H0741449-A HYDROQUINONE DERIVATIVE HAVING PERFLUOROALKYL GROUP, ITS PRODUCTION, LIQUID CRYSTAL COMPOSITION CONTAINING THE DERIVATIVE AND LIQUID CRYSTAL ELEMENT USING THE LIQUID CRYSTAL COMPOSITION IDEMITSU PETROCHEM CO LTD 1995-02-10 JP disclosed
JP-H05213897-A COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME, LIQUID CRYSTAL ELEMENT USING THE SAME COMPOSITION, DISPLAY DEVICE AND DISPLAY METHOD CANON INC 1993-08-24 JP disclosed
US-4163005-A FOR USE IN POLYMER COMPOSITIONS VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US disclosed