SCHEMBL7804131

SCHEMBL7804131

Cc1ccc(C(NC(C)Nc2ccc(F)c(F)c2)c2ccccc2Nc2c(O)c(=O)c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.37
TEAD4 Q15561 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
TP53 P04637 1/20 0.33
S1PR3 Q99500 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
CCR6 P51684 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
SCHEMBL7805351 1.00 CXCR2 (0.37) CXCR2TEAD4PGRARTP53
Hydrochloric Acid SCHEMBL7795371 0.86 CXCR2 (0.39) CXCR2TEAD4LMNAMAPTHTT
SCHEMBL7787857 0.84 S1PR3 (0.40) CXCR2TEAD4PGRARTP53
SCHEMBL7780328 0.84 S1PR3 (0.40) CXCR2TEAD4PGRARTP53
SCHEMBL7805393 0.80 CXCR2 (0.40) CXCR2TEAD4MAPKAPK2CCR6
SCHEMBL7795412 0.80 CXCR2 (0.40) CXCR2TEAD4MAPKAPK2CCR6
Hydrochloric Acid SCHEMBL7803652 0.79 CXCR2 (0.39) CXCR2TEAD4MAPKAPK2CCR6
SCHEMBL7802233 0.78 CXCR2 (0.39) CXCR2TEAD4LMNAMAPKAPK2CCR6
Hydrochloric Acid SCHEMBL7801936 0.77 MAPKAPK2 (0.41) CXCR2MAPKAPK2CCR6
SCHEMBL7801221 0.73 CXCR2 (0.41) CXCR2TEAD4MAPKAPK2CCR6

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-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed