SCHEMBL28790697

SCHEMBL28790697

CC(=O)Cc1ccc(Cl)cc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 7/20 0.42
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL27827973 0.81 MAPT (0.41) CA1CA2ALDH1A1CA12CA9
SCHEMBL1806672 0.80 CA1 (0.46) PTGES2CA1CA2CA12CA9
SCHEMBL25852925 0.78 MEN1 (0.44) CA1CA2ALDH1A1L3MBTL1CYP2C19
SCHEMBL1806670 0.78 PTGES2 (0.44) PTGES2CA1CA2CA12CA9
SCHEMBL1807035 0.77 PTGES2 (0.44) PTGES2CA1CA2ALDH1A1L3MBTL1
SCHEMBL30485967 0.76 PYCR1 (0.44) ALDH1A1CYP2D6CYP2C19MEN1LMNA
SCHEMBL22122719 0.76 PYCR1 (0.44) ALDH1A1CYP2D6CYP2C19MEN1LMNA
SCHEMBL157921 0.75 IDO1 (0.50) L3MBTL1CYP2C19CYP3A4IDO1
SCHEMBL29712851 0.75 IDO1 (0.50) L3MBTL1CYP2C19CYP3A4IDO1
SCHEMBL1807032 0.75 PTGES2 (0.45) PTGES2CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102050766-B Synthesis method for amosulalol hydrochloride ANHUI NEW STAR PHARMACEUTICAL DEV CO LTD 2013-08-07 CN disclosed
CN-102050766-A Synthesis method for amosulalol hydrochloride ANHUI NEW STAR PHARMACEUTICAL DEV CO LTD 2011-05-11 CN disclosed