SCHEMBL8323254

SCHEMBL8323254

COc1ccccc1Sc1c(O)nc[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.42
P4HB P07237 1/20 0.41
TUBB4A P04350 4/20 0.40
TUBB P07437 4/20 0.40
TUBA3C P0DPH7 4/20 0.40
TUBA1B P68363 4/20 0.40
TUBA4A P68366 4/20 0.40
TUBB4B P68371 4/20 0.40
TUBB3 Q13509 4/20 0.40
TUBB2A Q13885 4/20 0.40
TUBB8 Q3ZCM7 4/20 0.40
TUBA3E Q6PEY2 4/20 0.40
TUBA1A Q71U36 4/20 0.40
TUBA1C Q9BQE3 4/20 0.40
TUBB6 Q9BUF5 4/20 0.40
TUBB2B Q9BVA1 4/20 0.40
TUBB1 Q9H4B7 4/20 0.40
PNP P00491 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL9156547 0.77 TUBB4A (0.45) HAO1P4HBTUBB4ATUBBTUBA3C
SCHEMBL8326813 0.75 SMN1; SMN2 (0.42) HAO1P4HBTUBB4ATUBBTUBA3C
SCHEMBL7296430 0.73 HTT (0.40) MEN1KMT2APOLBMAPTIDO1
SCHEMBL8326815 0.73 TSHR (0.39) HAO1P4HBTUBB4ATUBBTUBA3C
SCHEMBL7302854 0.70 IDO1 (0.38) PNPPOLBMAPTIDO1HPGD
SCHEMBL9047855 0.70 AR (0.47) PNPPOLBSMN1; SMN2
Hydrogen Peroxide SCHEMBL28640288 0.68 CA1 (0.55) HAO1P4HBTUBB4ATUBBTUBA3C
SCHEMBL4644640 0.68 CA1 (0.60) HAO1P4HBTUBB4ATUBBTUBA3C
SCHEMBL31345525 0.68 CA1 (0.60) HAO1P4HBTUBB4ATUBBTUBA3C
SCHEMBL9505741 0.66 CA1 (0.57) HAO1P4HBTUBB4ATUBBTUBA3C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed