SCHEMBL9341306

SCHEMBL9341306

CC(=O)N1CC(C)(C)Oc2ccc(NC(=O)C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPY5R Q15761 4/20 0.39
MAPKAPK2 P49137 1/20 0.38
MTNR1B P49286 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL9341239 0.76 PDK1 (0.33) P2RY1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL427069 0.76 NOTUM (0.43) SMN1; SMN2GAAMAPTMEN1ALDH1A1
SCHEMBL449911 0.75 NOTUM (0.40) P2RY1SMN1; SMN2GAAMAPTMEN1
SCHEMBL450748 0.72 AKR1B1 (0.46) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9129687 0.68 TRPV1 (0.36) P2RY1SMN1; SMN2CYP2C9MAPTMEN1
SCHEMBL7413801 0.68 LMNA (0.57) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL8518362 0.67 CYP1A2 (0.48) L3MBTL1SMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL13757245 0.66 MAPKAPK2 (0.41) P2RY1L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL9341296 0.66 NOTUM (0.36)
SCHEMBL27399714 0.66 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2GAACYP1A2CYP2C9

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-5278158-A Heteropolycyclic pyridyl or pyridyl oxide YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-01-11 US disclosed
EP-0500319-A1 Oxazinobenzazole compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1992-08-26 EP disclosed