SCHEMBL9397144

SCHEMBL9397144

COc1ccc(CCN2CCN(CCNS(=O)(=O)c3ccc(Cl)c4ncccc34)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 1/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 1/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR1A P08908 1/20 0.44
ALOX15 P16050 1/20 0.43
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL9397200 0.98 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9398253 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9397139 0.87 POLB (0.42) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9194491 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9397193 0.84 ALK (0.41) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9200976 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9344872 0.82 TSHR (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9398483 0.81 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9201315 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9349857 0.79 TSHR (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA

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