Sugi Predict

Sugi Predict / Compounds / SCHEMBL6746033

SCHEMBL6746033

SCHEMBL6746033

Cc1cncc(C2=CCC=C2c2cc(F)c(S(C)(=O)=O)c(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.38
▸ CYP11B2 P19099 4/20 0.38
▸ PTGS2 P35354 4/20 0.36
▸ CASP1 P29466 1/20 0.34
▸ CYP2A6 P11509 3/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ APLNR P35414 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
SCHEMBL6746288 0.86 CASP1 (0.35) PTGS2CASP1
SCHEMBL6746753 0.80 PTGS2 (0.45) PTGS2CASP1
SCHEMBL6747283 0.80 PTGS2 (0.41) CYP11B1CYP11B2PTGS2CYP2A6
SCHEMBL6745163 0.80 PTGS2 (0.35) CYP11B1CYP11B2PTGS2CYP2A6TDO2
SCHEMBL6745114 0.80 SDHB (0.38) PTGS2CASP1
SCHEMBL6749937 0.78 PTGS2 (0.36) PTGS2CASP1
SCHEMBL6746730 0.76 PTGS2 (0.38) PTGS2CASP1
SCHEMBL6738811 0.76 CYP2A6 (0.54) CYP11B1CYP11B2PTGS2CASP1CYP2A6
SCHEMBL6750091 0.76 CASP1 (0.35) PTGS2CASP1
SCHEMBL6743712 0.76 PTGS2 (0.44) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 — — US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 — — US disclosed