SCHEMBL9344888

SCHEMBL9344888

Cc1ccc(OCCCN2CCCN(CCNS(=O)(=O)c3ccc(Cl)c4ncccc34)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALOX15 P16050 1/20 0.48
HTR7 P34969 4/20 0.43
HTR6 P50406 3/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GAA P10253 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
SCHEMBL9346847 0.93 TSHR (0.48) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9349900 0.92 TSHR (0.50) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9344863 0.92 ALOX15 (0.48) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9349813 0.89 TSHR (0.48) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9344884 0.86 HRH3 (0.40) HRH3ALDH1A1HPGDKMT2ANFE2L2
SCHEMBL9349856 0.86 HTR7 (0.49) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9346878 0.82 TSHR (0.48) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9345630 0.82 TSHR (0.48) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9345579 0.82 TSHR (0.51) TSHRALOX15HTR7HTR6HTR1A
SCHEMBL9344872 0.82 TSHR (0.53) 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