SCHEMBL7312262

SCHEMBL7312262

O=S(=O)(c1cc[c]c(C(F)(F)F)c1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EPHX2 P34913 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PKM P14618 1/20 0.46
CASP1 P29466 1/20 0.46
HPGD P15428 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL7309950 0.82 TSHR (0.57) TSHRSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL7312862 0.79 POLB (0.53) TSHRSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6638827 0.79 TSHR (0.57) TSHRSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL391396 0.75 POLB (0.68) TSHRSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL24295874 0.74 TSHR (0.62) TSHRSMN1; SMN2EPHX2POLBALDH1A1
SCHEMBL29483537 0.74 TSHR (0.66) TSHRSMN1; SMN2EPHX2POLBALDH1A1
SCHEMBL29483527 0.74 TSHR (0.62) TSHRSMN1; SMN2EPHX2POLBALDH1A1
SCHEMBL24295449 0.74 EPHX2 (0.75) TSHRSMN1; SMN2EPHX2POLBALDH1A1
SCHEMBL7301268 0.74 SMN1; SMN2 (0.50) TSHRSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL29483541 0.73 TSHR (0.68) TSHRSMN1; SMN2POLBALDH1A1GAA

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
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed