SCHEMBL8428477

SCHEMBL8428477

COc1ccc2c(c1)C(C(=Cc1ccc(S(N)(=O)=O)cc1)CSc1ccccc1)=C(C)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.39
▸ CA1 P00915 6/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ MIF P14174 3/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ BCHE P06276 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAOB P27338 1/20 0.35

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
SCHEMBL8430301 0.88 CA2 (0.40) CA2CA1CA7MIFCA4
SCHEMBL8431937 0.84 MIF (0.44) CA2CA1CA7MIFCA4
SCHEMBL8428757 0.84 MIF (0.44) CA2CA1CA7MIFCA4
SCHEMBL8431678 0.84 MIF (0.44) CA2CA1CA7MIFCA4
SCHEMBL8432320 0.83 CA2 (0.41) CA2CA1CA7MIFCA4
SCHEMBL8430256 0.83 CA2 (0.40) CA2CA1CA7MIFCA4
SCHEMBL8432426 0.82 CA2 (0.40) CA2CA1CA7MIFCA4
SCHEMBL10611496 0.82 CA2 (0.40) CA2CA1CA7MIFCA4
SCHEMBL8603397 0.80 AKR1C3 (0.47) CA2CA1CA7MIFCA4
SCHEMBL8431752 0.77 CYP19A1 (0.47) CA2CA1CA7MIFCA4

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-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 — — US disclosed
EP-0142801-B1 INDENE DERIVATIVES USEFUL AS PAF-ANTAGONISTS MERCK & CO. INC. (US) 1989-05-31 — — EP disclosed
US-4656190-A PLATELET ACTIVATING FACTOR MERCK & CO., INC. (US) 1987-04-07 — — US disclosed
EP-0142801-A2 Indene derivatives useful as paf-antagonists MERCK & CO. INC. (US) 1985-05-29 — — EP disclosed
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