SCHEMBL9397286

SCHEMBL9397286

CCOc1ccc(S(=O)(=O)NC(C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.63
KDM4E B2RXH2 4/20 0.63
KMT2A Q03164 3/20 0.63
PKM P14618 2/20 0.63
MEN1 O00255 2/20 0.63
GLA P06280 1/20 0.63
HSP90AA1 P07900 1/20 0.63
HSP90AB1 P08238 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 8/20 0.49
HPGD P15428 4/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 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
SCHEMBL9398311 0.97 LMNA (0.60) LMNAKDM4EKMT2APKMMEN1
SCHEMBL9397246 0.88 PKM (0.53) LMNAKDM4EKMT2APKMMEN1
SCHEMBL9398430 0.86 ALDH1A1 (0.62) LMNAKDM4EKMT2APKMMEN1
SCHEMBL9397291 0.86 LMNA (0.65) LMNAKDM4EKMT2APKMMEN1
SCHEMBL9198824 0.85 PKM (0.51) LMNAKDM4EKMT2APKMMEN1
SCHEMBL9398318 0.84 LMNA (0.62) LMNAKDM4EKMT2APKMMEN1
SCHEMBL9397177 0.83 ALDH1A1 (0.59) LMNAKDM4EKMT2APKMMEN1
SCHEMBL9397253 0.81 MAPK1 (0.51) LMNAKMT2APKMMEN1L3MBTL1
SCHEMBL9398249 0.80 ALDH1A1 (0.51) LMNAKDM4EKMT2APKMMEN1
Hydrochloric Acid SCHEMBL9397163 0.79 MAPK1 (0.47) LMNAKDM4EKMT2APKMMEN1

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