SCHEMBL9345579

SCHEMBL9345579

O=S(=O)(NCCN1CCN(CCCO)CC1)c1ccc(Cl)c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALOX15 P16050 1/20 0.51
HTR7 P34969 8/20 0.49
HTR6 P50406 5/20 0.49
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
IKBKB O14920 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MPI P34949 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FTO Q9C0B1 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL9344872 0.88 TSHR (0.53) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9349813 0.86 TSHR (0.48) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9397232 0.85 TSHR (0.53) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9398483 0.85 KDM4E (0.50) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9349857 0.85 TSHR (0.50) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9344898 0.85 TSHR (0.46) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9346885 0.85 ALOX15 (0.46) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9200741 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL9349900 0.84 TSHR (0.50) TSHRALOX15HTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL9346272 0.84 TSHR (0.46) TSHRALOX15HTR7HTR6HTR1A

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