SCHEMBL1380633

SCHEMBL1380633

O=C(ON(c1cc2cccnc2c(N2CCNCC2)n1)S(=O)(=O)c1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.41
▸ HTR6 P50406 13/20 0.39
▸ HTR2B P41595 4/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR2C P28335 5/20 0.37
▸ DRD2 P14416 4/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL1381623 0.85 HTR6 (0.41) HSD11B1HTR6HTR1AHTR7HTR2C
SCHEMBL1380517 0.85 L3MBTL1 (0.37) HSD11B1HTR6HTR1AHTR7HTR2C
SCHEMBL1379816 0.82 ALDH1A1 (0.37) HTR6HTR7RAD52UBE2NL3MBTL1
SCHEMBL1380174 0.81 RAD52 (0.36) HTR6HTR1AHTR7HTR2CDRD2
Trifluoroacetic Acid SCHEMBL1380631 0.76 HTR6 (0.45) HSD11B1HTR6HTR2BHTR1AHTR7
SCHEMBL3616367 0.72 HTR6 (0.51) HSD11B1HTR6HTR2BHTR1AHTR7
Trifluoroacetic Acid SCHEMBL1381621 0.65 SLC40A1 (0.52) HSD11B1HTR6RAD52UBE2NL3MBTL1
SCHEMBL1613542 0.64 ABHD6 (0.38) HTR6HTR2BHTR1AHTR7HTR2C
Trifluoroacetic Acid SCHEMBL6047104 0.63 SLC40A1 (0.47) HSD11B1HTR6HTR1AHTR7DRD2
Trifluoroacetic Acid SCHEMBL1380515 0.63 RAD52 (0.43) RAD52UBE2NL3MBTL1BACE1

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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