SCHEMBL8804385

SCHEMBL8804385

O=S(=O)(Oc1ccc(CO)nc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.37
HSD11B1 P28845 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CXCR1 P25024 1/20 0.36
HTR1D P28221 5/20 0.35
HTR1A P08908 4/20 0.35
HTR1B P28222 4/20 0.35
PTPRZ1 P23471 1/20 0.34
ABL1 P00519 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
CHRM5 P08912 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
SCHEMBL6852624 0.78 CA1 (0.40) CXCR2HSD11B1CA1CA2CXCR1
SCHEMBL7952665 0.76 CA1 (0.39) CXCR2HSD11B1CA1CA2CXCR1
SCHEMBL10415286 0.76 ABL1 (0.42) ABL1CHRM5
SCHEMBL1748982 0.75 P4HTM (0.50) CXCR2CXCR1
SCHEMBL752015 0.75 CXCR2 (0.39) CXCR2HSD11B1CA1CA2CXCR1
SCHEMBL1063185 0.75 CACNA1I (0.40)
SCHEMBL16422623 0.74 PPARA (0.47) CXCR2HSD11B1CA1CA2CXCR1
SCHEMBL17967042 0.74 CYSLTR2 (0.41)
SCHEMBL5254572 0.74 HRH3 (0.55) CA1CA2ABL1DRD2DRD3
SCHEMBL10678544 0.73 KMT2A (0.47) CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039324-C Substituted azacyclo-pyrimidine compounds, their pharmaceutical salts or N-oxides, and their use as anti-inflammatory agents AMERICAN HOME PROD (US) 1998-07-29 CN disclosed
CN-1175414-A Method for preparing substd. azacyclopyrimidine compound, its pharmaceutic salt or N-oxide AMERICAN HOME PROD (US) 1998-03-11 CN disclosed
EP-0539086-B1 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PROD (US) 1997-12-29 EP disclosed
US-5498776-A Substituted pyrrolopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-12 US disclosed
US-5256654-A Substituted pyrrolopyrimidines, azepinopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
CN-1072682-A SUBSTITUTED PYRIMIDINES AMERICAN HOME PROD (US) 1993-06-02 CN disclosed
EP-0539086-A2 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP disclosed
US-5149699-A Substituted pyridopyrimidines useful as antgiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed