SCHEMBL7529053

SCHEMBL7529053

COc1cc(S(N)(=O)=O)c(-c2ccc3[nH]ccc3c2)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ EGFR P00533 1/20 0.47
▸ TUBB4A P04350 2/20 0.47
▸ TUBB P07437 2/20 0.47
▸ TUBA3C P0DPH7 2/20 0.47
▸ TUBA1B P68363 2/20 0.47
▸ TUBA4A P68366 2/20 0.47
▸ TUBB4B P68371 2/20 0.47
▸ TUBB3 Q13509 2/20 0.47
▸ TUBB2A Q13885 2/20 0.47
▸ TUBB8 Q3ZCM7 2/20 0.47
▸ TUBA3E Q6PEY2 2/20 0.47
▸ TUBA1A Q71U36 2/20 0.47
▸ TUBA1C Q9BQE3 2/20 0.47
▸ TUBB6 Q9BUF5 2/20 0.47

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
SCHEMBL6590873 0.88 MEN1 (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL7465572 0.74 CA2 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL731067 0.70 PRKCQ (0.52) MEN1KMT2AEGFRTUBB4ATUBB
SCHEMBL31234464 0.69 CA12 (0.60) CA12CA1CA2CA9MAP3K11
SCHEMBL4339872 0.69 MAP3K11 (0.63) MEN1KMT2AEGFRTUBB4ATUBB
SCHEMBL15758953 0.68 MEN1 (0.55) MEN1KMT2AEGFRTUBB4ATUBB
SCHEMBL30667621 0.68 CA12 (0.55) CA12CA1CA2CA9LRRK2
SCHEMBL6341334 0.67 TUBB4A (0.53) MEN1KMT2AEGFRTUBB4ATUBB
SCHEMBL10282804 0.67 TUBB4A (0.77) MEN1KMT2AEGFRTUBB4ATUBB
SCHEMBL7084967 0.67 NPC1 (0.53) MEN1KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181269-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2002-02-27 — — EP disclosed
WO-2000073264-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2000-12-07 — — WO disclosed
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