SCHEMBL9828830

SCHEMBL9828830

CC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PLK1 P53350 1/20 0.40
ADORA3 P0DMS8 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRC P12931 1/20 0.38
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9831218 0.89 RAB9A (0.42) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL9829309 0.87 NPC1 (0.43) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL9828154 0.85 LMNA (0.46) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL9827533 0.83 NPC1 (0.46) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL9828617 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL9831788 0.75 TLR8 (0.48) ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9828333 0.74 KDM4E (0.42) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL9829223 0.72 MEN1 (0.39) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL9829358 0.72 CHEK1 (0.44) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL9829103 0.72 ADORA3 (0.44) ALDH1A1MAPTKDM4EHSD17B10ADORA3

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
EP-0233804-B1 MONOARYL-5-AS TRIAZINONES SUBSTITUTED IN POSITION 2, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PIERRE FABRE MEDICAMENT (FR) 1991-09-25 EP claimed