SCHEMBL7876919

SCHEMBL7876919

COc1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)NCCCc3ncc[nH]3)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
TBXA2R P21731 1/20 0.42
TBXAS1 P24557 1/20 0.42
SFRP1 Q8N474 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
SCHEMBL7877387 0.89 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2LMNAPOLB
SCHEMBL7877347 0.86 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7879555 0.85 TDP1 (0.47) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7879544 0.82 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7879552 0.79 CYP19A1 (0.64) ALDH1A1KMT2AMEN1POLB
SCHEMBL7877032 0.75 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7875230 0.74 TBXAS1 (0.37) TBXAS1
SCHEMBL7877318 0.72 CA9 (0.41) SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL9021230 0.72 CA9 (0.38) SMN1; SMN2
SCHEMBL7876907 0.71 TBXAS1 (0.34) HTTSMN1; SMN2LMNATBXAS1

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