SCHEMBL8323450

SCHEMBL8323450

COc1ccccc1OC1C(=O)N=C(N2CCOCC2)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK10 O94804 1/20 0.41
SLK Q9H2G2 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PRKDC P78527 4/20 0.40
CNR2 P34972 1/20 0.40
TDP2 O95551 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
NPC1 O15118 3/20 0.38
AKR1C3 P42330 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 1/20 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
SCHEMBL7201836 0.73 CA12 (0.34) STK10SLKMAPTALDH1A1KDM4E
SCHEMBL7296783 0.73 DDB1 (0.37) TNKSTNKS2ALDH1A1
SCHEMBL7293888 0.72 CA12 (0.35) MAPTALDH1A1KDM4ERAB9ALMNA
SCHEMBL7303598 0.72 CA12 (0.35) MAPTALDH1A1KDM4ERAB9ALMNA
SCHEMBL627191 0.71 RAB9A (0.35) STK10SLKNPC1ALDH1A1KDM4E
SCHEMBL7303932 0.70 ALDH1A1 (0.40) NPC1MAPTALDH1A1KDM4ERAB9A
SCHEMBL7330474 0.69 MAPT (0.33) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL7297774 0.69 FYN (0.39) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL7209808 0.68 CA2 (0.46) STK10SLKMAPTALDH1A1KDM4E
SCHEMBL7293097 0.67 STK10 (0.40) STK10SLKMAPK1CYP3A4

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