SCHEMBL8735588

SCHEMBL8735588

Cc1cccc(C(F)(F)F)c1S(=O)(=O)OC[PH](=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RX7 Q99572 1/20 0.31
HPGD P15428 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
SCHEMBL8763880 0.86 MEN1 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8729780 0.85 GABRA1 (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8730124 0.85 SLC22A12 (0.34)
SCHEMBL8854428 0.84 SCN8A (0.33) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8735584 0.84 ATM (0.36) MEN1KMT2ATSHRMAPTKDM4E
SCHEMBL8729877 0.83 STK10 (0.33) P2RX7
SCHEMBL8732732 0.82 KCNK3 (0.41) KMT2AKDM4EALDH1A1TDP1HPGD
SCHEMBL8412043 0.81 MEN1 (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8730132 0.81 AR (0.33)
SCHEMBL8854419 0.81 SCN8A (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed