SCHEMBL8409405

SCHEMBL8409405

CSc1cccc(F)c1S(=O)(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.39
PKLR P30613 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
CCR2 P41597 2/20 0.34
HPGD P15428 1/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PPIA P62937 1/20 0.33
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6734275 0.81 PTGES2 (0.46) PKMPKLRSMN1; SMN2ALDH1A1PTGES2
SCHEMBL8412700 0.81 PKM (0.36) PKMPKLRALDH1A1HPGDMAPT
SCHEMBL8412568 0.80 PKM (0.38) PKMPKLRSMN1; SMN2ALDH1A1PTGES2
SCHEMBL8412570 0.80 PKM (0.38) PKMPKLRSMN1; SMN2ALDH1A1PTGES2
SCHEMBL532887 0.80 PKM (0.50) PKMPKLRALDH1A1PTGES2LMNA
SCHEMBL8412945 0.79 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CCR2KMT2AMAPT
SCHEMBL8409259 0.77 CCR2 (0.36) SMN1; SMN2ALDH1A1CCR2KMT2AMEN1
SCHEMBL8409383 0.76 GABRA1 (0.36) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL8412954 0.75 PKM (0.34) PKMPKLRSMN1; SMN2ALDH1A1PTGES2
SCHEMBL29764209 0.75 ACHE (0.44) PKMPKLRALDH1A1KMT2AMAPT

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
CN-1339432-A Extracting method for substituted phenyl compounds ROHM & HAAS (US) 2002-03-13 CN disclosed
CN-1070175-C Process for the preparation of 2, 6-disubstituted benzenesulfonates or 2, 6-disubstituted benzenesulfonates further substituted in the 3-, 4-or 5-position ROHM & HAAS (US) 2001-08-29 CN disclosed
EP-0708087-B1 Method for making a substituted benzene compound ROHM & HAAS (US) 1999-07-28 EP disclosed
CN-1174189-A Process for preparing substituted benzene compounds ROHM & HAAS (US) 1998-02-25 CN disclosed
EP-0708087-A1 Method for making a substituted benzene compound ROHM AND HAAS COMPANY (US) 1996-04-24 EP disclosed