SCHEMBL1381623

SCHEMBL1381623

O=C(ON(c1cc2cccnc2c(N2CCNCC2)n1)S(=O)(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ SLC40A1 Q9NP59 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR2C P28335 3/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1380517 0.87 L3MBTL1 (0.37) HTR6HSD11B1SCN9AHTR2AHTR7
SCHEMBL1379816 0.86 ALDH1A1 (0.37) HTR6SCN9ATP53HTR7RAD52
SCHEMBL1380633 0.85 HSD11B1 (0.41) HTR6HSD11B1MAPTHTR2AHTR7
SCHEMBL1380174 0.80 RAD52 (0.36) HTR6HTR2AHTR7HTR1ADRD2
Trifluoroacetic Acid SCHEMBL1381621 0.77 SLC40A1 (0.52) HTR6HSD11B1SLC40A1RAD52UBE2N
SCHEMBL3623702 0.76 SLC40A1 (0.58) HTR6HSD11B1SCN9ASLC40A1EPHX2
SCHEMBL3563289 0.67 HTR6 (0.75) HTR6MAPTHTR2AHTR7HTR1A
Trifluoroacetic Acid SCHEMBL1380515 0.66 RAD52 (0.43) SLC40A1EPHX2RAD52UBE2NL3MBTL1
Hydrochloric Acid SCHEMBL2195292 0.66 HTR6 (0.74) HTR6MAPTHTR2AHTR7HTR1A
SCHEMBL3625132 0.66 HTR6 (0.51) HTR6HSD11B1HTR7HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 — — 2011-07-20 — — JP claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 — — EP claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 — — WO claimed
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