SCHEMBL30935952

SCHEMBL30935952

COC(=O)c1c(CN)ccc(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
ROCK2 O75116 1/20 0.34
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL28217233 0.75 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL29244643 0.74 LOXL2 (0.41) LOXL2KDM4EALDH1A1RAB9ANPC1
SCHEMBL25308830 0.70 CA1 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL27795665 0.70 LOXL2 (0.44) LOXL2KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL28192083 0.68 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11257707 0.67 KDM4E (0.57) LOXL2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15862210 0.66 LOXL2 (0.59) LOXL2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4142698 0.66 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27679116 0.65 LOXL2 (0.44) LOXL2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL391606 0.65 ABL1 (0.49) KDM4EALDH1A1HPGDHSD17B10RAB9A

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
CN-118239926-A TLR7 and 8 inhibitors, preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed