SCHEMBL6869361

SCHEMBL6869361

COC(=O)Nc1nc2cc(S(=O)(=O)N(CC(C)C)c3cccc(CC(C)CNC(=O)[C@@H](C)CS(C)(=O)=O)c3O)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACR P10323 1/20 0.44
TUBB4A P04350 4/20 0.32
TUBB P07437 4/20 0.32
TUBA3C P0DPH7 4/20 0.32
TUBA1B P68363 4/20 0.32
TUBA4A P68366 4/20 0.32
TUBB4B P68371 4/20 0.32
TUBB3 Q13509 4/20 0.32
TUBB2A Q13885 4/20 0.32
TUBB8 Q3ZCM7 4/20 0.32
TUBA3E Q6PEY2 4/20 0.32
TUBA1A Q71U36 4/20 0.32
TUBA1C Q9BQE3 4/20 0.32
TUBB6 Q9BUF5 4/20 0.32
TUBB2B Q9BVA1 4/20 0.32
TUBB1 Q9H4B7 4/20 0.32
MET P08581 1/20 0.32
CDK9 P50750 1/20 0.32
LMNA P02545 8/20 0.32
CYP1A2 P05177 5/20 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
SCHEMBL5031168 0.87 ACR (0.49) ACRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5027206 0.86 ACR (0.44) ACRLMNACYP1A2HIF1ASMN1; SMN2
SCHEMBL5928370 0.85 ACR (0.42) ACRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8517147 0.82 ACR (0.54) ACRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7945958 0.80 RORC (0.35) RORC
SCHEMBL6101123 0.79 CYP3A4 (0.37) LMNASMN1; SMN2RORCMAPK1MEN1
SCHEMBL7765077 0.78 MMP2 (0.41) LMNARORCMEN1KMT2AHTT
SCHEMBL5689205 0.78 KEAP1 (0.40) LMNARORCMEN1KMT2AHTT
SCHEMBL5031175 0.77 SPPL2A (0.37) KMT2A
SCHEMBL5026552 0.74 RORC (0.36) ACRRORCKMT2A

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
EP-1052250-B1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 2004-07-14 EP disclosed
EP-0813519-B1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2001-05-09 EP disclosed
US-6169085-B1 A VIRICIDE FOR PREVENTING AND TREATING RETROVIRAL INFECTION OR THE SPREAD OF A RETROVIRUS, INHIBITING REPLICATION OF A RETROVIRUS AND TREATING AIDS G. D. SEARLE & COMPANY 2001-01-02 US disclosed
EP-1052250-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2000-11-15 EP disclosed