SCHEMBL6590873

SCHEMBL6590873

COc1cc(S(=O)(=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
▸ TUBB4A P04350 2/20 0.50
▸ TUBB P07437 2/20 0.50
▸ TUBA3C P0DPH7 2/20 0.50
▸ TUBA1B P68363 2/20 0.50
▸ TUBA4A P68366 2/20 0.50
▸ TUBB4B P68371 2/20 0.50
▸ TUBB3 Q13509 2/20 0.50
▸ TUBB2A Q13885 2/20 0.50
▸ TUBB8 Q3ZCM7 2/20 0.50
▸ TUBA3E Q6PEY2 2/20 0.50
▸ TUBA1A Q71U36 2/20 0.50
▸ TUBA1C Q9BQE3 2/20 0.50
▸ TUBB6 Q9BUF5 2/20 0.50
▸ TUBB2B Q9BVA1 2/20 0.50
▸ TUBB1 Q9H4B7 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ MAP3K11 Q16584 2/20 0.43
▸ LRRK2 Q5S007 1/20 0.43

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
SCHEMBL7529053 0.88 MEN1 (0.51) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL7106623 0.77 TUBB4A (0.43) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6343105 0.76 CYP19A1 (0.44) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL6351443 0.74 TUBB4A (0.47) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL6346701 0.72 PTGS2 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL731067 0.70 PRKCQ (0.52) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL10282804 0.69 TUBB4A (0.77) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4339872 0.69 MAP3K11 (0.63) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL15758953 0.68 MEN1 (0.55) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL29260924 0.68 TUBB1 (0.67) MEN1KMT2ATUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181269-B1 CELL PROLIFERATION INHIBITORS ABBOTT LAB (US) 2004-02-25 — — EP claimed
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