SCHEMBL9401523

SCHEMBL9401523

COc1ccc(CC(CO)Sc2nc(OC)cc(OC)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LDHA P00338 1/20 0.41
SLC6A4 P31645 1/20 0.40
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 4/20 0.36
CALM1 P0DP23 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9401286 0.88 EDNRB (0.36) ALOX5L3MBTL1SLC6A4CYP2D6CYP1A2
SCHEMBL9401367 0.88 PTGES (0.43) ALOX5
SCHEMBL9401551 0.86 COPS5 (0.35) ALOX5CYP2D6CYP1A2CYP2C19
SCHEMBL9408744 0.83 ALOX5 (0.48) ALOX5LDHA
SCHEMBL9401526 0.79 ALDH1A1 (0.39) ALOX5CYP1A2
SCHEMBL9401293 0.79 ALDH1A1 (0.36) ALOX5L3MBTL1
SCHEMBL9401327 0.77 ALOX5 (0.43) ALOX5L3MBTL1LDHASLC6A4CYP2D6
SCHEMBL9401566 0.77 CTSA (0.35) ALOX5
SCHEMBL9401295 0.76 CTSA (0.37) ALOX5L3MBTL1NPC1RAB9A
SCHEMBL9401349 0.76 KCNJ5 (0.37) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed