SCHEMBL8634518

SCHEMBL8634518

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2C#N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 6/20 0.42
ACLY P53396 4/20 0.42
CCR4 P51679 2/20 0.42
SCN9A Q15858 1/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
STAT3 P40763 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL8634716 0.91 PI4KB (0.42) PI4KBACLYSCN9ATUBB4ATUBB
SCHEMBL8635601 0.91 ACLY (0.46) PI4KBACLYSCN9ATUBB4ATUBB
SCHEMBL8629945 0.90 ACLY (0.43) PI4KBACLYSCN9ATUBB4ATUBB
SCHEMBL8632242 0.88 ACLY (0.41) PI4KBACLYSCN9ATUBB4ATUBB
SCHEMBL8630396 0.87 PI4KB (0.44) PI4KBCCR4PDE4APDE4BPDE4C
SCHEMBL8635131 0.85 PI4KB (0.43) PI4KBACLYCCR4PDE4APDE4B
SCHEMBL8630562 0.85 CCR4 (0.42) PI4KBCCR4PDE4APDE4BPDE4C
SCHEMBL8632910 0.85 CCR4 (0.42) PI4KBCCR4PDE4APDE4BPDE4C
SCHEMBL8632160 0.83 CCR4 (0.41) PI4KBACLYCCR4PDE4APDE4B
SCHEMBL8630479 0.83 CCR4 (0.41) PI4KBCCR4PDE4APDE4BPDE4C

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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed