SCHEMBL534941

SCHEMBL534941

CCCCCCCCCCCCCC(F)(CCCCCCC)NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
EPHX2 P34913 2/20 0.42
GHSR Q92847 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40

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
Nitrogen SCHEMBL115914 0.97 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
Nitrogen SCHEMBL1492487 0.92 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL27062680 0.83 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL1278954 0.83 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL6053286 0.80 TDP1 (0.44) ALDH1A1TSHRPKMEPHX2TDP1
SCHEMBL4596094 0.79 EPHX2 (0.46) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL4595512 0.78 EPHX2 (0.45) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL6053677 0.78 TDP1 (0.45) ALDH1A1TSHRSMN1; SMN2PKMEPHX2
SCHEMBL3766087 0.74 RECQL (0.36) TSHRKMT2AMEN1TDP1L3MBTL1
SCHEMBL1279062 0.72 ALDH1A1 (0.82) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA

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-2414108-B1 METHOD FOR MODIFYING THE SURFACE ENERGY OF A SOLID COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-09-27 EP disclosed
EP-2414108-A2 METHOD FOR MODIFYING THE SURFACE ENERGY OF A SOLID Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-02-08 EP disclosed
WO-2010112610-A2 METHOD FOR MODIFYING THE SURFACE ENERGY OF A SOLID Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2010-10-07 WO disclosed