SCHEMBL9397291

SCHEMBL9397291

CCOc1ccc(S(=O)(=O)NCCN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccnc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.65
KDM4E B2RXH2 4/20 0.65
PKM P14618 2/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
GLA P06280 1/20 0.65
HSP90AA1 P07900 1/20 0.65
HSP90AB1 P08238 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 7/20 0.52
HPGD P15428 4/20 0.52
TSHR P16473 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9398318 0.98 LMNA (0.62) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9397256 0.87 PKM (0.56) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9397286 0.86 LMNA (0.63) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9398433 0.86 ALDH1A1 (0.70) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9198833 0.85 PKM (0.53) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9198535 0.84 KDM4E (0.68) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9397181 0.84 ALDH1A1 (0.67) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9192720 0.84 KDM4E (0.67) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9398311 0.83 LMNA (0.60) LMNAKDM4EPKMKMT2AMEN1
SCHEMBL9398253 0.80 ALDH1A1 (0.58) LMNAKDM4EPKMKMT2AMEN1

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-5340811-A Bronchodilator agent ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-08-23 US disclosed
EP-0471841-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-02-26 EP disclosed