SCHEMBL22455851

SCHEMBL22455851

Cc1cnccc1NS(=O)(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 14/20 0.43
▸ PTGS2 P35354 13/20 0.43
▸ GRIA2 P42262 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38

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
SCHEMBL18465038 0.81 CA12 (0.41) PTGS1PTGS2CA12CA1CA2
SCHEMBL22455897 0.78 SLC22A12 (0.49) PTGS1PTGS2NR3C1
SCHEMBL24435768 0.76 PTGS1 (0.49) PTGS1PTGS2CA12CA1CA2
SCHEMBL13468525 0.74 ALDH1A1 (0.50) NR3C1
SCHEMBL17737446 0.73 LMNA (0.52) —
SCHEMBL21540857 0.72 AOC1 (0.53) PTGS1PTGS2
SCHEMBL18412744 0.72 KMT2A (0.46) —
SCHEMBL14705314 0.70 ALDH1A1 (0.54) —
SCHEMBL24435810 0.70 NMT1 (0.46) GRIA2NR3C1
SCHEMBL12649965 0.69 CA1 (0.43) NR3C1CA1CA2

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
WO-2020191205-A1 PI4-KINASE INHIBITORS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-09-24 — — WO disclosed
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