SCHEMBL8412043

SCHEMBL8412043

CCOS(=O)(=O)c1c(C)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
KDM4E B2RXH2 3/20 0.35
NR1H2 P55055 6/20 0.34
NR1H3 Q13133 5/20 0.34
P2RX7 Q99572 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
KCNK3 O14649 1/20 0.32

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
SCHEMBL8412522 0.84 GABRA1 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8732667 0.84 KDM4E (0.33) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL27369519 0.82 MEN1 (0.35) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8854441 0.82 KMT2A (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8854520 0.81 MEN1 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8729932 0.81 ACP3 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8735588 0.81 MEN1 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8763877 0.81 MEN1 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8763880 0.81 MEN1 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL27448200 0.81 KMT2A (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 3 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
US-5670691-A REACTION OF 2-SUBSTITUTED BENZENESULFONATE WITH LITHIUM COMPOUND THEN REACTION WITH ELECTROPHILE TO FORM 2,6-DISUBSTITUTED BENZENESULFONATE ROHM AND HAAS COMPANY (US) 1997-09-23 US disclosed
EP-0708087-A1 Method for making a substituted benzene compound ROHM AND HAAS COMPANY (US) 1996-04-24 EP disclosed