SCHEMBL8889307

SCHEMBL8889307

CS(=O)(=O)c1ccccc1Cc1ccc(Br)cc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 1/20 0.33
CDK2 P24941 5/20 0.33
CCNE1 P24864 4/20 0.32
GSK3B P49841 4/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
LMNA P02545 1/20 0.31
EPHX2 P34913 1/20 0.31
CCR9 P51686 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
DHODH Q02127 1/20 0.30
GSTA1 P08263 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
SCHEMBL8892474 0.92 NR3C1 (0.35) NR3C1ALDH1A1CDK2CCNE1GSK3B
SCHEMBL8890477 0.90 NR3C1 (0.38) NR3C1ALDH1A1CDK2CCNE1GSK3B
SCHEMBL8892490 0.83 HPGD (0.36) ALDH1A1CYP19A1LMNATAS1R3TAS1R1
SCHEMBL8890367 0.83 NR3C1 (0.35) NR3C1ALDH1A1CDK2CCNE1GSK3B
SCHEMBL8891108 0.83 NR3C1 (0.32) NR3C1ALDH1A1JAK2JAK1TYK2
SCHEMBL8890973 0.83 NAAA (0.32) NR3C1JAK2JAK1TYK2LMNA
SCHEMBL8890226 0.83 NR3C1 (0.35) NR3C1CDK2CCNE1GSK3BJAK2
SCHEMBL8891351 0.83 EPHX2 (0.36) NR3C1LMNAEPHX2
SCHEMBL8891280 0.83 CYP19A1 (0.33) CYP19A1TAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8891637 0.82 LMNA (0.34) NR3C1ALDH1A1CDK2CCNE1GSK3B

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