SCHEMBL7868628

SCHEMBL7868628

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

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
POLB P06746 1/20 0.67
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA5A P35218 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
PKM P14618 1/20 0.57
PPARG P37231 1/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
AKR1C3 P42330 1/20 0.53
SGMS1 Q86VZ5 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL29260159 0.90 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL7113122 0.88 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL7877032 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL10589292 0.84 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL10523408 0.84 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL6799293 0.84 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL7879606 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBCA1CA2
SCHEMBL15619063 0.82 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL11335294 0.82 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL29259801 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBCA12CA1

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