SCHEMBL6168861

SCHEMBL6168861

COc1ccc(C2(C)C=CC=CC2S(N)(=O)=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NNMT P40261 1/20 0.35
BACE1 P56817 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
KCNH2 Q12809 3/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL21463923 0.70 BACE1 (0.35) NNMTBACE1MKNK1MKNK2
SCHEMBL6172341 0.70 CA2 (0.36) CA1CA2KMT2A
SCHEMBL30124707 0.67 PKM (0.35) CA1CA2MEN1KMT2APOLB
SCHEMBL31354868 0.64 NNMT (0.43) NNMTBACE1MKNK1MKNK2TUBB4A
SCHEMBL28819367 0.62 CA1 (0.61) CA1CA2NNMTMKNK1MKNK2
SCHEMBL1422284 0.62 CA1 (0.61) CA1CA2NNMTMKNK1MKNK2
SCHEMBL30124933 0.61 HSD11B1 (0.31)
Hydrochloric Acid SCHEMBL29969325 0.61 CA1 (0.60) CA1CA2NNMTMKNK1MKNK2
SCHEMBL30710190 0.61 CHRNA1 (0.31) CA1CA2
SCHEMBL17021862 0.61 NNMT (0.37) CA1CA2NNMTBACE1MKNK1

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-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed