SCHEMBL9397193

SCHEMBL9397193

COc1ccc(CCN2CCCN(C(C)NS(=O)(=O)c3ccc(Cl)c4ncccc34)CC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.41
INSR P06213 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
EBP Q15125 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9397139 0.97 POLB (0.42) ALKINSRPOLBALDH1A1LMNA
SCHEMBL9398249 0.88 ALDH1A1 (0.51) POLBALDH1A1LMNAADRA1DADRA1A
SCHEMBL9397200 0.87 ALDH1A1 (0.49) POLBALDH1A1LMNAADRA1DADRA1A
SCHEMBL9397144 0.84 ALDH1A1 (0.51) POLBALDH1A1LMNAADRA1DADRA1A
SCHEMBL9398291 0.82 MAPT (0.43) POLBALDH1A1LMNAKMT2AMAPT
SCHEMBL9346842 0.82 HRH3 (0.40) POLBALDH1A1LMNAADRA1AADRA1B
SCHEMBL9349897 0.81 SMN1; SMN2 (0.39) ALDH1A1LMNAADRA1AKMT2ASIGMAR1
SCHEMBL9344868 0.80 MAPT (0.41) POLBALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9344884 0.79 HRH3 (0.40) ALDH1A1ADRA1AADRA1BKMT2AHPGD
SCHEMBL9398477 0.79 SMN1; SMN2 (0.46) POLBALDH1A1LMNAKMT2AMAPT

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