SCHEMBL6562046

SCHEMBL6562046

CC(C)(C)OC(=O)NC(=N)S

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
DGAT1 O75907 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 3/20 0.34
CA14 Q9ULX7 3/20 0.34
APLNR P35414 1/20 0.34
CTSK P43235 2/20 0.33

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
SCHEMBL604019 0.81 TDP1 (0.39) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL101218 0.80 DGAT1 (0.46) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL22305381 0.79 TDP1 (0.41) TDP1CA1CA2CA7MEN1
SCHEMBL10227847 0.79 TDP1 (0.38) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL1522412 0.78 DGAT1 (0.44) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL6272856 0.78 DGAT1 (0.44) TDP1NFKB1NFKB2RELADGAT1
Potassium SCHEMBL29554503 0.78 DGAT1 (0.44) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL320540 0.77 MAOA (0.40) TDP1NFKB1NFKB2RELADGAT1
Hydrochloric Acid SCHEMBL7342949 0.76 MAOA (0.39) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL8233731 0.76 TDP1 (0.36) TDP1NFKB1NFKB2RELADGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105434-A The polypeptide and application thereof of stitching and suture 哈佛大学的校长及成员们 2019-08-09 CN disclosed
CN-102510755-A Bifunctional stapled polypeptides and uses thereof HARVARD COLLEGE 2012-06-20 CN disclosed
EP-0933993-A4 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2004-09-08 EP disclosed
CN-1227466-A Substituted cyclopentane compounds useful as neuraminidase inhibitors BIOCRYST PHARM INC (US) 1999-09-01 CN disclosed
EP-0933993-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS INC. (US) 1999-08-11 EP disclosed
WO-1997047194-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1997-12-18 WO disclosed