SCHEMBL9397264

SCHEMBL9397264

O=S(=O)(NCCN1CCCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
HTR1A P08908 4/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48

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
SCHEMBL9198833 0.86 PKM (0.53) MAPK1PKMHTR1ALMNAALOX15
SCHEMBL9398450 0.84 P2RX7 (0.55) MAPK1PKMLMNAALOX15TSHR
SCHEMBL9397253 0.84 MAPK1 (0.51) MAPK1PKMHTR1AHTR3EHTR3B
SCHEMBL9398318 0.83 LMNA (0.62) MAPK1PKMLMNATSHRMEN1
Hydrochloric Acid SCHEMBL9397166 0.83 MAPK1 (0.49) MAPK1PKMHTR1ALMNAALOX15
SCHEMBL9397256 0.83 PKM (0.56) MAPK1PKMHTR1ALMNATSHR
SCHEMBL2456939 0.81 CA12 (0.54) MAPK1PKMLMNAMEN1CYP3A4
SCHEMBL9397291 0.80 LMNA (0.65) MAPK1PKMLMNATSHRMEN1
SCHEMBL9196105 0.80 LMNA (0.60) MAPK1LMNATSHRL3MBTL1ALDH1A1
SCHEMBL9397301 0.75 TSHR (0.57) HTR1ALMNAALOX15TSHRCYP3A4

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