SCHEMBL9398249

SCHEMBL9398249

CCOc1ccc(S(=O)(=O)NC(C)N2CCN(CCc3ccc(OC)c(OC)c3)CC2)c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
LMNA P02545 6/20 0.51
POLB P06746 5/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
MAPT P10636 4/20 0.48
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL9397139 0.91 POLB (0.42) ALDH1A1LMNAPOLBADRA1DADRA1A
SCHEMBL9397193 0.88 ALK (0.41) ALDH1A1LMNAPOLBADRA1DADRA1A
SCHEMBL9398253 0.87 ALDH1A1 (0.58) ALDH1A1LMNAPOLBADRA1DADRA1A
SCHEMBL9398430 0.83 ALDH1A1 (0.62) ALDH1A1LMNAPOLBMAPTHPGD
SCHEMBL9397177 0.80 ALDH1A1 (0.59) ALDH1A1LMNAPOLBMAPTHPGD
SCHEMBL9397286 0.80 LMNA (0.63) ALDH1A1LMNAPOLBADRA1AMAPT
SCHEMBL9398247 0.79 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMAPTHPGD
SCHEMBL9398311 0.77 LMNA (0.60) ALDH1A1LMNAPOLBADRA1AMAPT
SCHEMBL9397144 0.77 ALDH1A1 (0.51) ALDH1A1LMNAPOLBADRA1DADRA1A
SCHEMBL9198961 0.75 ALDH1A1 (0.63) ALDH1A1LMNAPOLBMAPTHPGD

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