SCHEMBL8779870

SCHEMBL8779870

CCOS(=O)(=O)c1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CA9 Q16790 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA4 P22748 2/20 0.52
CYP2C9 P11712 2/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
HTR6 P50406 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.42
KYNU Q16719 2/20 0.41
F2 P00734 2/20 0.39
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL27937639 0.98 GAA (0.52) GAACA9CA1CA2CA12
SCHEMBL27950977 0.98 GAA (0.52) GAACA9CA1CA2CA12
SCHEMBL27937613 0.96 GAA (0.50) GAACA9CA1CA2CA12
SCHEMBL29415266 0.87 GAA (0.39) GAACA9CA1CA2CA12
SCHEMBL778991 0.87 GAA (0.39) GAACA9CA1CA2CA12
SCHEMBL27701264 0.87 GAA (0.48) GAACA9CA1CA2CA12
SCHEMBL6325404 0.84 CYP2C9 (0.50) GAACA9CA1CA2CA12
SCHEMBL31299789 0.81 ALDH1A1 (0.49) GAACA9CA1CA2CA12
SCHEMBL9136812 0.81 ALDH1A1 (0.49) GAACA9CA1CA2CA12
SCHEMBL28573134 0.80 GAA (0.46) GAACA9CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101010359-B Process for preparation of functionalized polyimides SABIC INNOVATIVE PLASTICS IP 2012-07-11 CN disclosed
CN-101337914-B Preparation method of taurine and substituted taurine UNIV BEIJING CHEMICAL 2012-04-04 CN disclosed
CN-101337914-A Method for preparing taurine and substituted taurine UNIV BEIJING CHEMICAL (CN) 2009-01-07 CN disclosed
CN-101037405-A Preparation method of aniline derivative containing 2-hydroxyethylsulfonyl UNIV DALIAN TECH (CN) 2007-09-19 CN disclosed
CN-101010359-A Process for preparation of functionalized polyimides GEN ELECTRIC (US) 2007-08-01 CN disclosed
EP-0777703-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME Kyungin Synthetic Corporation (KR) 1997-06-11 EP disclosed
WO-1996033240-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNG-IN SYNTHETIC CORPORATION (KR) 1996-10-24 WO disclosed