SCHEMBL19657553

SCHEMBL19657553

CCc1cc2c(cc1CC)n(C)c(=O)n2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.48
S100B P04271 1/20 0.44
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
BRD4 O60885 2/20 0.42
BRPF1 P55201 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPEPPS P55786 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL19657848 0.87 ATAD2 (0.57) ATAD2S100BHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL19657568 0.85 ATAD2 (0.41) ATAD2S100BHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL12136691 0.76 RAB9A (0.57) HSD17B10ALDH1A1SMN1; SMN2BRD4BRPF1
SCHEMBL9027061 0.74 ATAD2 (0.44) ATAD2S100BHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL19657572 0.74 ADORA2B (0.41) ATAD2S100BHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL19657844 0.74 RAB9A (0.39) ATAD2HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL19657546 0.74 ATAD2 (0.71) ATAD2S100BHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL19657534 0.73 HSD17B10 (0.43) ATAD2S100BHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL19657853 0.73 ATAD2 (0.35) ATAD2S100BHSD17B10SMN1; SMN2RAB9A
SCHEMBL25752333 0.73 ATM (0.40) HSD17B10ALDH1A1KDM4ERAB9ANPC1

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed