SCHEMBL1380517

SCHEMBL1380517

O=C(ON(c1cc2cccnc2c(N2CCNCC2)n1)S(=O)(=O)c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ UBE2N P61088 1/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ BACE1 P56817 4/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ HTR6 P50406 4/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL1379816 0.87 ALDH1A1 (0.37) L3MBTL1RAD52UBE2NSCN9AHTR6
SCHEMBL1381623 0.87 HTR6 (0.41) L3MBTL1RAD52UBE2NEPHX2SCN9A
SCHEMBL1380633 0.85 HSD11B1 (0.41) L3MBTL1RAD52UBE2NBACE1HTR6
SCHEMBL1380174 0.81 RAD52 (0.36) L3MBTL1RAD52UBE2NEPHX2PRKD1
Trifluoroacetic Acid SCHEMBL1380515 0.76 RAD52 (0.43) L3MBTL1RAD52UBE2NEPHX2BACE1
SCHEMBL3616470 0.71 MEN1 (0.50) L3MBTL1PRKD1HTR6HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL1379813 0.66 HTR6 (0.47) HTR6KDM4E
Trifluoroacetic Acid SCHEMBL1381621 0.65 SLC40A1 (0.52) L3MBTL1RAD52UBE2NPRKD1HTR6
Trifluoroacetic Acid SCHEMBL1380171 0.63 L3MBTL1 (0.43) L3MBTL1RAD52UBE2NEPHX2PRKD1
Trifluoroacetic Acid SCHEMBL1380631 0.63 HTR6 (0.45) L3MBTL1RAD52UBE2NBACE1PRKD1

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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