SCHEMBL9346901

SCHEMBL9346901

O=S(=O)(NCCN1CCN(CCCOc2ccccc2)CC1)c1ccc(Cl)c2nc(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.42
HTR1A P08908 6/20 0.42
TSHR P16473 5/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 5/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR6 P50406 7/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HRH1 P35367 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL9349813 0.88 TSHR (0.48) HTR7HTR1ATSHRKMT2AHTR2A
SCHEMBL9349900 0.85 TSHR (0.50) HTR7HTR1ATSHRKMT2AHTR2A
SCHEMBL9346897 0.85 HTR1A (0.39) HTR7HTR1AHTR2ADRD2DRD3
SCHEMBL9349856 0.84 HTR7 (0.49) HTR7HTR1ATSHRKMT2AHTR2A
Hydrochloric Acid SCHEMBL9349913 0.80 HTR1A (0.41) HTR7HTR1ATSHRKMT2AHTR2A
SCHEMBL9346878 0.79 TSHR (0.48) HTR7HTR1ATSHRKMT2AHTR2A
SCHEMBL9345654 0.79 ALDH1A1 (0.50) HTR7HTR1ATSHRKMT2AHTR2A
SCHEMBL9344863 0.78 ALOX15 (0.48) HTR7HTR1ATSHRKMT2AHTR2A
SCHEMBL9344888 0.78 TSHR (0.48) HTR7HTR1ATSHRKMT2AHTR2A
SCHEMBL9346847 0.78 TSHR (0.48) HTR7HTR1ATSHRKMT2AHTR2A

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-5326870-A Asthma; bronchodilator agents; respiratory system disorders ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-07-05 US disclosed
EP-0525203-A1 SUBSTITUTED SULFONAMIDE DERIVATIVE OR PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-02-03 EP disclosed