SCHEMBL27433601

SCHEMBL27433601

C=CCc1cc(C(C)C#N)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ELANE P08246 1/20 0.33
CXCR1 P25024 1/20 0.33
DRD2 P14416 3/20 0.32
DRD1 P21728 3/20 0.32
DRD4 P21917 3/20 0.32
DRD5 P21918 3/20 0.32
DRD3 P35462 3/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALOX5 P09917 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL8418498 0.83 PTGS2 (0.43) CXCR2KDM4EELANECXCR1PTGDR
SCHEMBL27437226 0.80 ELANE (0.40) CXCR2KDM4EELANECXCR1PTGDR
SCHEMBL8969655 0.79 PTGDR (0.38) CXCR2KDM4EELANECXCR1PTGDR
SCHEMBL8422012 0.77 PTGDR (0.37) CXCR2KDM4EELANECXCR1PTGDR
SCHEMBL8420646 0.76 ALOX5 (0.34) ELANEDRD2DRD1DRD4DRD5
SCHEMBL8420019 0.74 KDM4E (0.39) KDM4EELANEDRD2DRD1DRD4
SCHEMBL12848922 0.73 PTGDR (0.36) KDM4EELANEDRD2DRD1DRD4
SCHEMBL8969225 0.73 ALDH1A1 (0.36) KDM4EELANEDRD2DRD1DRD4
SCHEMBL2333663 0.73 CXCR2 (0.52) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL8772712 0.72 KMT2A (0.39) PTGDRPTGDR2GABRA1GABRB2

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
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed