SCHEMBL7879552

SCHEMBL7879552

COc1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)NCCCn3ccnc3)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.64
POLB P06746 2/20 0.61
QPCT Q16769 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7873778 0.89 CYP19A1 (0.54) CYP19A1POLBALDH1A1
SCHEMBL7873708 0.86 CYP19A1 (0.51) CYP19A1POLBALDH1A1KMT2A
SCHEMBL7873784 0.85 ALDH1A1 (0.55) CYP19A1POLBQPCTALDH1A1KMT2A
SCHEMBL7868654 0.84 ALDH1A1 (0.52) CYP19A1POLBALDH1A1MEN1KMT2A
SCHEMBL7876913 0.83 ALDH1A1 (0.53) CYP19A1POLBALDH1A1KMT2A
SCHEMBL7879591 0.82 ALDH1A1 (0.52) CYP19A1POLBALDH1A1MEN1KMT2A
SCHEMBL7876919 0.79 ALDH1A1 (0.46) POLBALDH1A1MEN1KMT2A
SCHEMBL9268617 0.76 ALDH1A1 (0.42) CYP19A1POLBALDH1A1MEN1KMT2A
SCHEMBL8445910 0.74 CYP19A1 (0.47) CYP19A1POLBQPCTMEN1KMT2A
SCHEMBL7877032 0.74 ALDH1A1 (0.60) POLBALDH1A1KMT2A

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