SCHEMBL8797600

SCHEMBL8797600

O=C(CBr)c1cccn1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 4/20 0.43
PTPN1 P18031 2/20 0.42
GSK3B P49841 2/20 0.42
HTR6 P50406 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
APEH P13798 1/20 0.40
PLK1 P53350 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.38
PKM P14618 1/20 0.38
MET P08581 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL8519164 0.83 NR4A2 (0.43) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL17900455 0.82 PPME1 (0.49) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL27662268 0.82 PPME1 (0.49) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL8797471 0.79 PPME1 (0.42) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL1365701 0.79 PKM (0.51) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL5269124 0.77 MEN1 (0.42) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL8797951 0.76 HTR6 (0.43) PTPN1GSK3BHTR6LMNAMEN1
SCHEMBL17574711 0.75 MEN1 (0.55) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL26054592 0.75 PPME1 (0.46) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL9788986 0.75 KLKB1 (0.48) PTPN1GSK3BHTR6LMNAMEN1

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
EP-0597291-B1 2,3-diphenyl-5-pyrrolyl-furan derivatives, processes and intermediates for their preparation and their use as anti-inflammatory, and anti-allergic and platelet aggregation inhibiting agents NIHON IYAKUHIN KOGYO CO LTD (JP) 1997-06-11 EP disclosed
US-5321041-A Antiallergens, antiinflammatory and anticaogulants NIHON IYAKUHIN KOGYO CO., LTD. (JP) 1994-06-14 US disclosed
EP-0597291-A1 2,3-diphenyl-5-pyrrolyl-furan derivatives, processes and intermediates for their preparation and their use as anti-inflammatory, and anti-allergic and platelet aggregation inhibiting agents NIHON IYAKUHIN KOGYO CO., LTD. (JP) 1994-05-18 EP disclosed