SCHEMBL7877032

SCHEMBL7877032

COc1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)N)cc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA5A P35218 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
SFRP1 Q8N474 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL7868628 0.84 ALDH1A1 (0.77) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL7416728 0.82 HTT (0.76) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL10453025 0.80 PDE4A (0.66) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL7877042 0.80 PDE4A (0.65) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL4182162 0.79 KMT2A (0.77) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL7879606 0.78 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL10462165 0.78 TBXA2R (0.63) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL15618874 0.77 ALDH1A1 (0.72) ALDH1A1HTTSMN1; SMN2POLBCA12
SCHEMBL5960103 0.76 ALDH1A1 (0.79) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL7879458 0.76 LSS (0.62) ALDH1A1HTTSMN1; SMN2KMT2ACA12

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 4 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
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed