SCHEMBL7873778

SCHEMBL7873778

COc1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)NCCCn3ccnc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.45

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
SCHEMBL7873784 0.89 ALDH1A1 (0.55) CYP19A1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL7879552 0.89 CYP19A1 (0.64) CYP19A1ALDH1A1POLB
SCHEMBL7876913 0.87 ALDH1A1 (0.53) CYP19A1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL7868654 0.86 ALDH1A1 (0.52) CYP19A1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL7879591 0.86 ALDH1A1 (0.52) CYP19A1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL7873708 0.85 CYP19A1 (0.51) CYP19A1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL10838763 0.83 ALDH1A1 (0.76) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL10838517 0.80 ALDH1A1 (0.70) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL9268617 0.79 ALDH1A1 (0.42) CYP19A1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL7877387 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBLMNAHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed