SCHEMBL528360

SCHEMBL528360

COc1ccc(C)cc1-c1ccccc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK8 P45983 1/20 0.46
PARP1 P09874 1/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
BCAT2 O15382 1/20 0.45
KCNMA1 Q12791 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL14003500 0.86 MAPT (0.57) HTTMAPTHSP90AA1NPSR1LMNA
SCHEMBL527995 0.84 PARP1 (0.56) HTTPARP1LMNASMN1; SMN2L3MBTL1
SCHEMBL29706670 0.84 LMNA (0.52) HTTMAPTMAPK8PARP1LMNA
SCHEMBL28323667 0.83 LMNA (0.49) HTTMAPTNPSR1MAPK8PARP1
SCHEMBL17009620 0.81 BCAT2 (0.50) MAPTPARP1LMNAMEN1KMT2A
SCHEMBL2784660 0.80 MAPK8 (0.43) HTTMAPTNPSR1MAPK8LMNA
SCHEMBL2190365 0.80 ACHE (0.59) HTTMAPTNPSR1MAPK8ACHE
SCHEMBL25149207 0.78 GAA (0.52) KMT2AL3MBTL1ALDH1A1BCAT2NPC1
SCHEMBL7762502 0.78 BCAT2 (0.56) MAPTNPSR1PARP1LMNAMEN1
SCHEMBL31541662 0.78 ACHE (0.39) MAPTMAPK8LMNAMEN1KMT2A

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed