SCHEMBL9344872

SCHEMBL9344872

CCCN1CCN(CCNS(=O)(=O)c2ccc(Cl)c3ncccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 1/20 0.48
HTR7 P34969 4/20 0.46
HTR6 P50406 3/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
FTO Q9C0B1 1/20 0.43
IKBKB O14920 1/20 0.42
COMT P21964 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RORC P51449 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
SCHEMBL9398483 0.89 KDM4E (0.50) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9349857 0.89 TSHR (0.50) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9345579 0.88 TSHR (0.51) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9397232 0.87 TSHR (0.53) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9398295 0.86 TSHR (0.53) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9349813 0.84 TSHR (0.48) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9344868 0.84 MAPT (0.41) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9397262 0.84 TSHR (0.54) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9346885 0.83 ALOX15 (0.46) TSHRALOX15ALDH1A1KDM4EHPGD
SCHEMBL9344898 0.83 TSHR (0.46) TSHRALOX15ALDH1A1KDM4EHPGD

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