SCHEMBL8891637

SCHEMBL8891637

Cc1c(Cc2ccccc2C(=O)c2cnoc2C2CC2)cccc1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
NR3C1 P04150 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 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
SCHEMBL8890477 0.92 NR3C1 (0.38) LMNANR3C1TAS1R3TAS1R1TAS1R2
SCHEMBL8890546 0.87 NR1H4 (0.35) LMNANR3C1JAK2JAK1TYK2
SCHEMBL8891093 0.87 NR3C1 (0.34) LMNANR3C1ALDH1A1CYP1A2CYP3A4
SCHEMBL8492896 0.87 LMNA (0.38) LMNATAS1R3TAS1R1TAS1R2JAK2
SCHEMBL8891693 0.86 SLC9A1 (0.37) NR3C1F10DHODHCACNA1BSLC9A1
SCHEMBL8890152 0.85 LMNA (0.36) LMNANR3C1TAS1R3TAS1R1TAS1R2
SCHEMBL8890367 0.85 NR3C1 (0.35) LMNANR3C1TAS1R3TAS1R1TAS1R2
SCHEMBL8891108 0.85 NR3C1 (0.32) LMNANR3C1TAS1R3TAS1R1TAS1R2
SCHEMBL8889685 0.85 CCNE1 (0.36) TAS1R3TAS1R1TAS1R2JAK2JAK1
SCHEMBL8890973 0.84 NAAA (0.32) LMNANR3C1CYP3A4JAK2JAK1

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed