SCHEMBL8412614

SCHEMBL8412614

Cc1c(F)ccc(F)c1S(=O)(=O)O.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAO P14920 1/20 0.33
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TET2 Q6N021 1/20 0.30
HDAC4 P56524 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31107869 0.76 CES2 (0.36) TSHRSMN1; SMN2
SCHEMBL31058373 0.76 VCAM1 (0.45) KDM4ETDP1CA1CA2TSHR
SCHEMBL8412750 0.76 PKM (0.32) TDP1DAOPKMPKLR
SCHEMBL8412762 0.75 ACHE (0.43) KDM4EPOLBAPEX1TDP1PKM
SCHEMBL3926685 0.75 PKM (0.48) TDP1PKMPKLRTSHRSMN1; SMN2
SCHEMBL29268497 0.75 CA1 (0.39) DAOPKMPKLRFABP3FABP4
SCHEMBL8412611 0.74 LMNA (0.38) TDP1DAOPKMPKLRTSHR
SCHEMBL8411117 0.74 PSIP1 (0.31)
SCHEMBL2862401 0.72 FABP4 (0.37) KDM4EPOLBAPEX1TDP1FABP3
SCHEMBL10014826 0.72 TET2 (0.39) DAOTET2HDAC4

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
EP-0708087-B1 Method for making a substituted benzene compound ROHM & HAAS (US) 1999-07-28 EP disclosed
EP-0708087-A1 Method for making a substituted benzene compound ROHM AND HAAS COMPANY (US) 1996-04-24 EP disclosed