SCHEMBL8673020

SCHEMBL8673020

Cc1ccc(S(=O)(=O)N2CCC(F)C(=O)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.56
▸ KCNA3 P22001 2/20 0.56
▸ MMP2 P08253 1/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL19149798 0.85 KCNN4 (0.56) KCNN4KCNA3MMP2HTR6CYP3A4
SCHEMBL17158242 0.79 KCNN4 (0.50) KCNN4KCNA3MMP2CYP2C9LMNA
SCHEMBL28565985 0.78 KCNN4 (0.60) KCNN4KCNA3MMP2HTR6LMNA
SCHEMBL2570325 0.78 ALDH1A1 (0.52) KCNN4KCNA3CYP2C19LMNAGAA
SCHEMBL768700 0.78 KCNN4 (0.67) KCNN4KCNA3MMP2HTR6CYP3A4
SCHEMBL28556866 0.77 KCNN4 (0.59) KCNN4KCNA3MMP2HTR6LMNA
SCHEMBL28565008 0.77 KCNN4 (0.59) KCNN4KCNA3MMP2HTR6LMNA
SCHEMBL1495922 0.75 KCNN4 (0.64) KCNN4KCNA3MMP2HTR6CYP3A4
SCHEMBL8672389 0.75 KCNN4 (0.60) KCNN4KCNA3MMP2HTR6CYP3A4
SCHEMBL28665779 0.74 KCNA3 (0.89) KCNN4KCNA3MMP2HTR6LMNA

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-5710150-A ARGININE VASOPRESSIN ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 — — US disclosed
EP-0716083-A1 BENZAZEPINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE FOR THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 — — EP disclosed
Send feedback